Hisphen
TL;DR: Hisphen (CAS 6957-05-7) is a chemical compound with molecular formula C19H24Cl2N4O3 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate
Also Known As: Hisphen, Hisfen, p-Di(2-chlorethyl)aminophenacetyl histidine methyl ester, methyl (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate, methyl (2-(4-(bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidinate
| Molecular Formula | C19H24Cl2N4O3 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.12256 |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 6957-05-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CN=CN1)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | OKSCSVIOPIVWTC-KRWDZBQOSA-N |
Product Overview
Hisphen (CAS 6957-05-7), with molecular formula C19H24Cl2N4O3 and molecular weight 426.12 g/mol. IUPAC: methyl (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of Hisphen
Property Insights of Hisphen
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hisphen. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Hisphen. Following Lipinski's Rule of Five, Hisphen 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 Hisphen?
The CAS number of Hisphen is 6957-05-7.
What is the molecular formula of Hisphen?
The molecular formula of Hisphen is C19H24Cl2N4O3.
What is the molecular weight of Hisphen?
The molecular weight of Hisphen is 426.12 g/mol.
Where can I buy Hisphen?
You can request a quote for Hisphen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hisphen?
Yes, KEHONG BIO provides custom synthesis services for Hisphen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.