BAS 00535331
TL;DR: BAS 00535331 (CAS 61454-04-4) is a chemical compound with molecular formula C23H28Cl2N2O4 and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3R)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxy-3-phenylpropanoate
Also Known As: BAS 00535331, erythro-N-(3-(Di-(2-chloroethyl)amino)-4-methylbenzoyl)-DL-phenylserine ethyl ester, DL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-beta-hydroxy-, ethyl ester,erythro-, 3-[Bis(2-chloroethyl)amino]-N-(1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-carboximidic acid, 3-[Bis(2-chloroethyl)amino]-N-[(2R,3R)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]-4-methylbenzene-1-carboximidic acid
| Molecular Formula | C23H28Cl2N2O4 |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 3.67412 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 466.1426 |
| Heavy Atoms | 31 |
| Complexity | 857.9099 |
Chemical Identifiers
| CAS Number | 61454-04-4 |
|---|---|
| SMILES | CCOC(=O)[C@@H]([C@@H](C1=CC=CC=C1)O)NC(=O)C2=CC(=C(C=C2)C)N(CCCl)CCCl |
Product Overview
BAS 00535331 (CAS 61454-04-4), with molecular formula C23H28Cl2N2O4 and molecular weight 466.14 g/mol. IUPAC: ethyl (2R,3R)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxy-3-phenylpropanoate.
Chemical Property Profile of BAS 00535331
Property Insights of BAS 00535331
The XLogP value of 3.67412 indicates that BAS 00535331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00535331. Following Lipinski's Rule of Five, BAS 00535331 has 2 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 00535331?
The CAS number of BAS 00535331 is 61454-04-4.
What is the molecular formula of BAS 00535331?
The molecular formula of BAS 00535331 is C23H28Cl2N2O4.
What is the molecular weight of BAS 00535331?
The molecular weight of BAS 00535331 is 466.14 g/mol.
Where can I buy BAS 00535331?
You can request a quote for BAS 00535331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00535331?
Yes, KEHONG BIO provides custom synthesis services for BAS 00535331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.