L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride
TL;DR: L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride (CAS 6955-10-8) is a chemical compound with molecular formula C19H26Cl4N4O3 and molecular weight 498.08 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;dihydrochloride
Also Known As: L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride, methyl n-({4-[bis(2-chloroethyl)amino]phenyl}acetyl)-l-histidinate dihydrochloride, {4-[Bis(2-chloroethyl)amino]phenyl}-N-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]ethanimidic acid--hydrogen chloride (1/2), 2-{4-[Bis(2-chloroethyl)amino]phenyl}-N-[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]ethanimidic acid--hydrogen chloride (1/2), methyl (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate dihydrochloride
| Molecular Formula | C19H26Cl4N4O3 |
|---|---|
| Molecular Weight | 498.08 g/mol |
| LogP | 2.9803 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 498.0759 |
| Heavy Atoms | 30 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 6955-10-8 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CN=CN1)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl.Cl.Cl |
| InChIKey | SIZZZHCJAYTSAI-RMRYJAPISA-N |
Product Overview
L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride (CAS 6955-10-8), with molecular formula C19H26Cl4N4O3 and molecular weight 498.08 g/mol. IUPAC: methyl (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate;dihydrochloride.
Chemical Property Profile of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride
Property Insights of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride
The XLogP value of 2.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride. Following Lipinski's Rule of Five, L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride has 4 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 L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride?
The CAS number of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride is 6955-10-8.
What is the molecular formula of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride?
The molecular formula of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride is C19H26Cl4N4O3.
What is the molecular weight of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride?
The molecular weight of L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride is 498.08 g/mol.
Where can I buy L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride?
You can request a quote for L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for L-Histidine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.