threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester
TL;DR: threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester (CAS 61454-05-5) 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)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxy-3-phenylpropanoate
Also Known As: 1-Propionyl-3-methylindolizin, BAS 00535331, threo-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, threo-, ethyl (2R)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxy-3-phenylpropanoate
| 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 | 61454-05-5 |
|---|---|
| SMILES | CCOC(=O)[C@@H](C(C1=CC=CC=C1)O)NC(=O)C2=CC(=C(C=C2)C)N(CCCl)CCCl |
Product Overview
threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester (CAS 61454-05-5), with molecular formula C23H28Cl2N2O4 and molecular weight 466.14 g/mol. IUPAC: ethyl (2R)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxy-3-phenylpropanoate.
Chemical Property Profile of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester
Property Insights of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester
The XLogP value of 3.67412 indicates that threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester 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 threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester. Following Lipinski's Rule of Five, threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester 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 threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester?
The CAS number of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester is 61454-05-5.
What is the molecular formula of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester?
The molecular formula of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester is C23H28Cl2N2O4.
What is the molecular weight of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester?
The molecular weight of threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester is 466.14 g/mol.
Where can I buy threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester?
You can request a quote for threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for threo-N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylserine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.