![CAS 1251003-47-0 5,6,8,9-Tetrahydro-Imidazo[1,2-A][1,4]Diazepine-3,7-Dicarboxylic Acid 7-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-47-0.gif)
CAS RN: 1251003-47-0
5,6,8,9-Tetrahydro-Imidazo[1,2-A][1,4]Diazepine-3,7-Dicarboxylic Acid 7-Tert-Butyl Ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-029678
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
1251003-47-0 / 7-[(2-methylpropan-2-yl)oxycarbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxylic acid
Basic Information
CAS
1251003-47-0
Multi CAS
No
Molecular Formula
C13H19N3O4
Molecular Weight
281.310000
Exact Mass
281.137556
SMILES
CC(C)(C)OC(=O)N1CCC2=NC=C(N2CC1)C(=O)O
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-5-4-10-14-8-9(11(17)18)16(10)7-6-15/h8H,4-7H2,1-3H3,(H,17,18)
InChIKey
UAUXLRRLJMCBCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.7
TPSA
84.66
LogP / Solubility
WLOGP
1.37
MLOGP
1.22
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1251003-51-6 Cis-Tert-Butyl-Octahydropyrido[4,3-F][1,4]Oxazepine-8(2H)-Carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Cis-Tert-Butyl-Octahydropyrido[4,3-F][1,4]Oxazepine-8(2H)-Carboxylate
- CAS RN: 1251003-51-6
- Product Code: SSC-029679
-
tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
- CAS RN: 1251003-79-8
- Product Code: SSC-029682
-
3-Hydroxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid tert-butyl ester(WX140674)
- CAS RN: 1251003-82-3
- Product Code: starshine_CAS1251003-82-3
- Purity/Analytical method: >99.0%
-
(3aR,6aR)-rel-Hexahydro-4-oxo-pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic Acid 1,1-DiMethylethyl Ester
- CAS RN: 1251003-89-0
- Product Code: SSC-029683
-
RaceMic cis-4,6-dioxo- hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
- CAS RN: 1251003-99-2
- Product Code: SSC-029684
-
Cis-Hexahydro-Pyrrolo[3,2-B]Pyrrole-1-Carboxylicacidtert-Butylester
- CAS RN: 1251004-04-2
- Product Code: SSC-029685
![CAS 1251003-51-6 Cis-Tert-Butyl-Octahydropyrido[4,3-F][1,4]Oxazepine-8(2H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-51-6.gif)
![CAS 1251003-79-8 tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-79-8.gif)
![CAS 1251003-82-3 3-Hydroxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid tert-butyl ester(WX140674) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-82-3.gif)
![CAS 1251003-89-0 (3aR,6aR)-rel-Hexahydro-4-oxo-pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic Acid 1,1-DiMethylethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-89-0.gif)
![CAS 1251003-99-2 RaceMic cis-4,6-dioxo- hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-99-2.gif)
![CAS 1251004-04-2 Cis-Hexahydro-Pyrrolo[3,2-B]Pyrrole-1-Carboxylicacidtert-Butylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251004-04-2.gif)