Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate
TL;DR: Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate (CAS 6335-07-5) is a chemical compound with molecular formula C20H20ClNO6 and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate, Benzyl N-[(benzyloxy)carbonyl]-O-(chloroacetyl)serinate, Hydracrylic acid, 2-(carboxyamino)-, dibenzyl ester, chloroacetate
| Molecular Formula | C20H20ClNO6 |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 405.0979 |
| Heavy Atoms | 28 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 6335-07-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(COC(=O)CCl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | FFGNBQLGIGNAMP-UHFFFAOYSA-N |
Product Overview
Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate (CAS 6335-07-5), with molecular formula C20H20ClNO6 and molecular weight 405.10 g/mol. IUPAC: benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate
Property Insights of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate
The XLogP value of 3.4 indicates that Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate. Following Lipinski's Rule of Five, Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate has 1 hydrogen bond donor(s) and 6 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 Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate?
The CAS number of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate is 6335-07-5.
What is the molecular formula of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate?
The molecular formula of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate is C20H20ClNO6.
What is the molecular weight of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate?
The molecular weight of Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate is 405.10 g/mol.
Where can I buy Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate?
You can request a quote for Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.