N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride
TL;DR: N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride (CAS 42575-84-8) is a chemical compound with molecular formula C25H36Cl3N5O4 and molecular weight 575.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate;hydrochloride
Also Known As: N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride, L-Histidine, N-(N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-, methyl ester, monohydrochloride, 2-[(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1-hydroxyethylidene)amino]-N-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]-4-methylpentanimidic acid--hydrogen chloride (1/1), 2-[(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1-hydroxyethylidene)amino]-N-[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]-4-methylpentanimidic acid--hydrogen chloride (1/1), L-Histidine, N-[N-[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-DL-leucyl]-, methyl ester, monohydrochloride
| Molecular Formula | C25H36Cl3N5O4 |
|---|---|
| Molecular Weight | 575.18 g/mol |
| LogP | 3.0894 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 575.1833 |
| Heavy Atoms | 37 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 42575-84-8 |
|---|---|
| SMILES | CC(C)CC(C(=O)N[C@@H](CC1=CN=CN1)C(=O)OC)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl.Cl |
| InChIKey | KXGVDKDKCJEZAR-DZSUWJOWSA-N |
Product Overview
N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride (CAS 42575-84-8), with molecular formula C25H36Cl3N5O4 and molecular weight 575.18 g/mol. IUPAC: methyl (2S)-2-[[2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate;hydrochloride.
Chemical Property Profile of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride
Property Insights of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride
The XLogP value of 3.0894 indicates that N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride. Following Lipinski's Rule of Five, N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride?
The CAS number of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride is 42575-84-8.
What is the molecular formula of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride?
The molecular formula of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride is C25H36Cl3N5O4.
What is the molecular weight of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride?
The molecular weight of N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride is 575.18 g/mol.
Where can I buy N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride?
You can request a quote for N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-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-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.