Iodomelphalan
TL;DR: Iodomelphalan (CAS 51554-04-2) is a chemical compound with molecular formula C13H17Cl2IN2O2 and molecular weight 429.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid
Also Known As: Iodomelphalan, 3-(4-(Bis(2-chloroethyl)amino)-2-iodophenyl)-L-alanine, 4-(Bis(2-chloroethyl)amino)-2-iodo-L-phenylalanine, 4-[Bis(2-chloroethyl)amino]-2-iodophenylalanine, L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-2-iodo-
| Molecular Formula | C13H17Cl2IN2O2 |
|---|---|
| Molecular Weight | 429.97 g/mol |
| LogP | 2.5296 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.9712 |
| Heavy Atoms | 20 |
| Complexity | 453.99734 |
Chemical Identifiers
| CAS Number | 51554-04-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCCl)CCCl)I)C[C@@H](C(=O)O)N |
Product Overview
Iodomelphalan (CAS 51554-04-2), with molecular formula C13H17Cl2IN2O2 and molecular weight 429.97 g/mol. IUPAC: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid.
Chemical Property Profile of Iodomelphalan
Property Insights of Iodomelphalan
The XLogP value of 2.5296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodomelphalan. The TPSA of 66.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Iodomelphalan. Following Lipinski's Rule of Five, Iodomelphalan has 2 hydrogen bond donor(s) and 3 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 Iodomelphalan?
The CAS number of Iodomelphalan is 51554-04-2.
What is the molecular formula of Iodomelphalan?
The molecular formula of Iodomelphalan is C13H17Cl2IN2O2.
What is the molecular weight of Iodomelphalan?
The molecular weight of Iodomelphalan is 429.97 g/mol.
Where can I buy Iodomelphalan?
You can request a quote for Iodomelphalan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodomelphalan?
Yes, KEHONG BIO provides custom synthesis services for Iodomelphalan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.