beta-Alanylmelphalan
TL;DR: beta-Alanylmelphalan (CAS 112710-37-9) is a chemical compound with molecular formula C16H23Cl2N3O3 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Also Known As: beta-Alanylmelphalan, Melphalan, beta-alanyl-, N-beta-Alanyl-4-(bis(2-chloroethyl)amino)-L-phenylalanine, (2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid, beta-Alanyl-4-[bis(2-chloroethyl)amino]-L-phenylalanine
| Molecular Formula | C16H23Cl2N3O3 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 375.11163 |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 112710-37-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CCN)N(CCCl)CCCl |
| InChIKey | LORKXDSAKCGGGI-AWEZNQCLSA-N |
Product Overview
beta-Alanylmelphalan (CAS 112710-37-9), with molecular formula C16H23Cl2N3O3 and molecular weight 375.11 g/mol. IUPAC: (2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of beta-Alanylmelphalan
Property Insights of beta-Alanylmelphalan
The XLogP value of -0.9 indicates that beta-Alanylmelphalan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanylmelphalan. Following Lipinski's Rule of Five, beta-Alanylmelphalan has 3 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 beta-Alanylmelphalan?
The CAS number of beta-Alanylmelphalan is 112710-37-9.
What is the molecular formula of beta-Alanylmelphalan?
The molecular formula of beta-Alanylmelphalan is C16H23Cl2N3O3.
What is the molecular weight of beta-Alanylmelphalan?
The molecular weight of beta-Alanylmelphalan is 375.11 g/mol.
Where can I buy beta-Alanylmelphalan?
You can request a quote for beta-Alanylmelphalan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanylmelphalan?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanylmelphalan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.