N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride
TL;DR: N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride (CAS 41834-17-7) is a chemical compound with molecular formula C19H25Cl3N4O3 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[2-[2-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate;hydrochloride
Also Known As: N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride, L-Histidine, N-(((bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, monohydrochloride, L-Histidine, N-[[[bis(2-chloroethyl)amino]phenyl]acetyl]-, methyl ester, monohydrochloride, {2-[Bis(2-chloroethyl)amino]phenyl}-N-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]ethanimidic acid--hydrogen chloride (1/1), 2-{2-[Bis(2-chloroethyl)amino]phenyl}-N-[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C19H25Cl3N4O3 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 2.5585 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 462.0992 |
| Heavy Atoms | 29 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 41834-17-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CN=CN1)NC(=O)CC2=CC=CC=C2N(CCCl)CCCl.Cl |
| InChIKey | QINWSHVAJGXSNT-NTISSMGPSA-N |
Product Overview
N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride (CAS 41834-17-7), with molecular formula C19H25Cl3N4O3 and molecular weight 462.10 g/mol. IUPAC: methyl (2S)-2-[[2-[2-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate;hydrochloride.
Chemical Property Profile of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride
Property Insights of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride
The XLogP value of 2.5585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride. Following Lipinski's Rule of Five, N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride 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 N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride?
The CAS number of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride is 41834-17-7.
What is the molecular formula of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride?
The molecular formula of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride is C19H25Cl3N4O3.
What is the molecular weight of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride?
The molecular weight of N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride is 462.10 g/mol.
Where can I buy N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride?
You can request a quote for N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(((Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidine methyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.