![CAS 1206824-76-1 1-([(Tert-Butoxy)Carbonyl]Amino)-1H-Pyrrole-2-Carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206824-76-1.gif)
CAS RN: 1206824-76-1
1-([(Tert-Butoxy)Carbonyl]Amino)-1H-Pyrrole-2-Carboxamide
- Product code: SSC-021760
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 | Beijing | Inquiry |
1206824-76-1 / tert-butyl N-(2-carbamoylpyrrol-1-yl)carbamate
tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate | tert-butyl N-(2-carbamoylpyrrol-1-yl)carbamate | MFCD24471141
Basic Information
CAS
1206824-76-1
Multi CAS
No
Molecular Formula
C10H15N3O3
Molecular Weight
225.240000
Exact Mass
225.111341
SMILES
CC(C)(C)OC(=O)NN1C=CC=C1C(=O)N
InChI
InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)12-13-6-4-5-7(13)8(11)14/h4-6H,1-3H3,(H2,11,14)(H,12,15)
InChIKey
NDPXBGQXFWYSOE-UHFFFAOYSA-N
Synonyms
tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate
tert-butyl N-(2-carbamoylpyrrol-1-yl)carbamate
MFCD24471141
1-{[(tert-butoxy)carbonyl]amino}-1H-pyrrole-2-carboxamide
1-([(TERT-BUTOXY)CARBONYL]AMINO)-1H-PYRROLE-2-CARBOXAMIDE
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.54
TPSA
86.35
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1.4
Consensus LogP
1.14
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1206825-03-7 4-Chloro-imidazo[2,1-f][1,2,4]triazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
4-chloro-2-fluoro-7H-pyrrolo[2,3-d]pyriMidine
- CAS RN: 1206825-32-2
- Product Code: SSC-021763
-
tert-butyl (R)-4-(1-hydroxyethyl)piperidine-1-carboxylate
- CAS RN: 1206830-71-8
- Product Code: SSC-021764
-
Methyl (1-benzyl-4-Methylpiperidin-3-yl)carbaMate
- CAS RN: 1206875-41-3
- Product Code: SSC-021769
-
4. 2,2′-(9,9-bis(4-hexylphenyl)-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
- CAS RN: 1206875-64-0
- Product Code: starshine_CAS1206875-64-0
- Purity/Analytical method: >99.0%
![CAS 1206825-03-7 4-Chloro-imidazo[2,1-f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206825-03-7.gif)
![CAS 1206825-06-0 IMidazo[2,1-f][1,2,4]triazin-4(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206825-06-0.gif)
![CAS 1206825-32-2 4-chloro-2-fluoro-7H-pyrrolo[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206825-32-2.gif)
