![3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester structure](/static/products/5582/55822-82-7.webp)
3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester
TL;DR: 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester (CAS 55822-82-7) is a chemical compound with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-chloro-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: N-(Benzyloxycarbonyl)-L- -chloroalanine Benzyl Ester, N-(Benzyloxycarbonyl)-L-b-chloroalanine Benzyl Ester, 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester, benzyl 3-chloro-2-(phenylmethoxycarbonylamino)propanoate, Benzyl ester of N-Benzyloxycarbonyl-3-chloro-L-alanine
| Molecular Formula | C18H18ClNO4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.09244 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 55822-82-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CCl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | JYSZSIWECWRSIF-UHFFFAOYSA-N |
Product Overview
3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester (CAS 55822-82-7), with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol. IUPAC: benzyl 3-chloro-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester
Property Insights of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester
The XLogP value of 3.5 indicates that 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester. Following Lipinski's Rule of Five, 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester has 1 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 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester?
The CAS number of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester is 55822-82-7.
What is the molecular formula of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester?
The molecular formula of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester is C18H18ClNO4.
What is the molecular weight of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester?
The molecular weight of 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester is 347.09 g/mol.
Where can I buy 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester?
You can request a quote for 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Phenylmethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.