Benzyloxycarbonylalanyl-alanine chloromethyl ketone
TL;DR: Benzyloxycarbonylalanyl-alanine chloromethyl ketone (CAS 51166-66-6) is a chemical compound with molecular formula C15H19ClN2O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-4-chloro-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Also Known As: Boc-ala-ala-cmk, Z-Ala-AlaCH2Cl, Z-Ala-Ala-CH2Cl, Z-Ala-ala-chloromethyl ketone, Benzyloxycarbonylalanyl-alanine chloromethyl ketone
| Molecular Formula | C15H19ClN2O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 1.6139 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.10333 |
| Heavy Atoms | 22 |
| Complexity | 521.53357 |
Chemical Identifiers
| CAS Number | 51166-66-6 |
|---|---|
| SMILES | C[C@@H](C(=O)CCl)NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyloxycarbonylalanyl-alanine chloromethyl ketone (CAS 51166-66-6), with molecular formula C15H19ClN2O4 and molecular weight 326.10 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-4-chloro-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of Benzyloxycarbonylalanyl-alanine chloromethyl ketone
Property Insights of Benzyloxycarbonylalanyl-alanine chloromethyl ketone
The XLogP value of 1.6139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyloxycarbonylalanyl-alanine chloromethyl ketone. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyloxycarbonylalanyl-alanine chloromethyl ketone. Following Lipinski's Rule of Five, Benzyloxycarbonylalanyl-alanine chloromethyl ketone has 2 hydrogen bond donor(s) and 4 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 Benzyloxycarbonylalanyl-alanine chloromethyl ketone?
The CAS number of Benzyloxycarbonylalanyl-alanine chloromethyl ketone is 51166-66-6.
What is the molecular formula of Benzyloxycarbonylalanyl-alanine chloromethyl ketone?
The molecular formula of Benzyloxycarbonylalanyl-alanine chloromethyl ketone is C15H19ClN2O4.
What is the molecular weight of Benzyloxycarbonylalanyl-alanine chloromethyl ketone?
The molecular weight of Benzyloxycarbonylalanyl-alanine chloromethyl ketone is 326.10 g/mol.
Where can I buy Benzyloxycarbonylalanyl-alanine chloromethyl ketone?
You can request a quote for Benzyloxycarbonylalanyl-alanine chloromethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonylalanyl-alanine chloromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonylalanyl-alanine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.