CAS RN: 1217528-91-0
(Tert-Butoxy)Carbonyl L-β-HomohydroxyPro(OBzl)DCHA
- Product code: SSC-024430
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 | Shanghai | Inquiry |
1217528-91-0 / N-cyclohexylcyclohexanamine;2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]acetic acid
Basic Information
CAS
1217528-91-0
Multi CAS
No
Molecular Formula
C30H48N2O5
Molecular Weight
516.700000
Exact Mass
516.356323
SMILES
CC(C)(C)OC(=O)N1CC(C[C@H]1CC(=O)O)OCC2=CC=CC=C2.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C18H25NO5.C12H23N/c1-18(2,3)24-17(22)19-11-15(9-14(19)10-16(20)21)23-12-13-7-5-4-6-8-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,14-15H,9-12H2,1-3H3,(H,20,21);11-13H,1-10H2/t14-,15?;/m0./s1
InChIKey
GBYMJEWNEXHWOX-QDVCFFRGSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
145.5
TPSA
88.1
LogP / Solubility
WLOGP
6.3
MLOGP
5.58
XLogP3
6.3
Consensus LogP
6.06
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-8.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
4-Chloro-2-cyclopropyl-5-nitropyrimidine
- CAS RN: 1217530-93-2
- Product Code: starshine_CAS1217530-93-2
- Purity/Analytical method: >99.0%
-
2′-Benzyl-1′-oxo-1′,4′-dihydro-2’H-spiro[cyclo-pentane-1,3′-isoquinoline]-4′-carboxylic acid
- CAS RN: 1217531-04-8
- Product Code: starshine_CAS1217531-04-8
- Purity/Analytical method: >99.0%
-
2′-(2-Methoxyethyl)-1′-oxo-1′,4′-dihydro-2’H-spiro-[cyclopentane-1,3′-isoquinoline]-4′-carboxylic
- CAS RN: 1217531-62-8
- Product Code: starshine_CAS1217531-62-8
- Purity/Analytical method: >99.0%
-
(2R)-7-Hydroxy-3′-methylspiro[chromene-2,1′-cyclohexan]-4(3H)-one
- CAS RN: 1217538-35-6
- Product Code: starshine_CAS1217538-35-6
- Purity/Analytical method: >99.0%
-
D-Proline, 4-amino-, (4R)-
- CAS RN: 1217598-26-9
- Product Code: starshine_CAS1217598-26-9
- Purity/Analytical method: >99.0%
-
(R)-1-Benzyl 2-Methyl piperazine-1,2-dicarboxylate
- CAS RN: 1217598-28-1
- Product Code: SSC-024435
![CAS 1217531-04-8 2′-Benzyl-1′-oxo-1′,4′-dihydro-2’H-spiro[cyclo-pentane-1,3′-isoquinoline]-4′-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52556562.gif)
![CAS 1217531-62-8 2′-(2-Methoxyethyl)-1′-oxo-1′,4′-dihydro-2’H-spiro-[cyclopentane-1,3′-isoquinoline]-4′-carboxylic molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32686889.gif)
![CAS 1217538-35-6 (2R)-7-Hydroxy-3′-methylspiro[chromene-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22556657.gif)
