叔丁氧羰基-氰丙氨酰脯氨酸苄酯
TL;DR: 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 (CAS 132247-17-7) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁氧羰基-氰丙氨酰脯氨酸苄酯
2-O-benzyl 3-O-tert-butyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyanopyrrolidine-2,3-dicarboxylate
Also Known As: Boc-capobzl, Boc-beta-cyano-L-ala-L-pro-obzl, t-Butyloxycarbonyl-cyanoalanylproline benzyl ester, Benzyl alanyl-3-(tert-butoxycarbonyl)-2-cyanoprolinate, 2-O-benzyl 3-O-tert-butyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyanopyrrolidine-2,3-dicarboxylate
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 132247-17-7 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC([C@@]1(C#N)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N |
| InChIKey | SHFUZTLXAWLVAB-APEPYPMRSA-N |
Product Overview
叔丁氧羰基-氰丙氨酰脯氨酸苄酯 (CAS 132247-17-7), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: 2-O-benzyl 3-O-tert-butyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyanopyrrolidine-2,3-dicarboxylate.
Chemical Property Profile of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯
Property Insights of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔丁氧羰基-氰丙氨酰脯氨酸苄酯. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 叔丁氧羰基-氰丙氨酰脯氨酸苄酯. Following Lipinski's Rule of Five, 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯?
The CAS number of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 is 132247-17-7.
What is the molecular formula of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯?
The molecular formula of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 is C21H27N3O5.
What is the molecular weight of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯?
The molecular weight of 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 is 401.20 g/mol.
Where can I buy 叔丁氧羰基-氰丙氨酰脯氨酸苄酯?
You can request a quote for 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁氧羰基-氰丙氨酰脯氨酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 叔丁氧羰基-氰丙氨酰脯氨酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.