RefChem:318001
TL;DR: RefChem:318001 (CAS 55327-79-2) is a chemical compound with molecular formula C21H23Cl3N2O3 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid
Also Known As: N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-p-chlorophenylalanine, DL-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)alanine, DL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-4-chloro-, Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)-, DL-, 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid
| Molecular Formula | C21H23Cl3N2O3 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.07742 |
| Heavy Atoms | 29 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 55327-79-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O)N(CCCl)CCCl |
| InChIKey | JHRZCEMKIJKSDN-UHFFFAOYSA-N |
Product Overview
RefChem:318001 (CAS 55327-79-2), with molecular formula C21H23Cl3N2O3 and molecular weight 456.08 g/mol. IUPAC: 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid.
Chemical Property Profile of RefChem:318001
Property Insights of RefChem:318001
The XLogP value of 5.1 indicates that RefChem:318001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318001. Following Lipinski's Rule of Five, RefChem:318001 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318001?
The CAS number of RefChem:318001 is 55327-79-2.
What is the molecular formula of RefChem:318001?
The molecular formula of RefChem:318001 is C21H23Cl3N2O3.
What is the molecular weight of RefChem:318001?
The molecular weight of RefChem:318001 is 456.08 g/mol.
Where can I buy RefChem:318001?
You can request a quote for RefChem:318001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318001?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.