BAS 00535371
TL;DR: BAS 00535371 (CAS 61454-06-6) is a chemical compound with molecular formula C15H15Cl4NO5 and molecular weight 428.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate
Also Known As: BAS 00535371, erythro-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester, DL-Phenylalanine, N-(dichloroacetyl)-beta-((dichloroacetyl)oxy)-, ethyl ester, erythro-, ethyl (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate, 2,2-Dichloro-N-{1-[(dichloroacetyl)oxy]-3-ethoxy-3-oxo-1-phenylpropan-2-yl}ethanimidic acid
| Molecular Formula | C15H15Cl4NO5 |
|---|---|
| Molecular Weight | 428.97 g/mol |
| LogP | 2.9262 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.97043 |
| Heavy Atoms | 25 |
| Complexity | 596.8443 |
Chemical Identifiers
| CAS Number | 61454-06-6 |
|---|---|
| SMILES | CCOC(=O)[C@@H]([C@@H](C1=CC=CC=C1)OC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl |
Product Overview
BAS 00535371 (CAS 61454-06-6), with molecular formula C15H15Cl4NO5 and molecular weight 428.97 g/mol. IUPAC: ethyl (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate.
Chemical Property Profile of BAS 00535371
Property Insights of BAS 00535371
The XLogP value of 2.9262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00535371. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00535371. Following Lipinski's Rule of Five, BAS 00535371 has 1 hydrogen bond donor(s) and 5 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 BAS 00535371?
The CAS number of BAS 00535371 is 61454-06-6.
What is the molecular formula of BAS 00535371?
The molecular formula of BAS 00535371 is C15H15Cl4NO5.
What is the molecular weight of BAS 00535371?
The molecular weight of BAS 00535371 is 428.97 g/mol.
Where can I buy BAS 00535371?
You can request a quote for BAS 00535371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00535371?
Yes, KEHONG BIO provides custom synthesis services for BAS 00535371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.