Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-
TL;DR: Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- (CAS 52616-31-6) is a chemical compound with molecular formula C20H30Cl2N4O3 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[4-(2-amino-2-carboxyethyl)-1H-imidazol-1-ium-1-carbonyl]-2-methylphenyl]-dipropylazanium dichloride
Also Known As: L-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)histidine dihydrochloride, HISTIDINE, N-(3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOYL)-, DIHYDROCHLORIDE, L-, [5-[4-(2-amino-3-hydroxy-3-oxopropyl)-1H-imidazol-1-ium-1-carbonyl]-2-methylphenyl]-dipropylazanium dichloride, RefChem:347824
| Molecular Formula | C20H30Cl2N4O3 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | -5.95 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.1695 |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 52616-31-6 |
|---|---|
| SMILES | CCC[NH+](CCC)C1=C(C=CC(=C1)C(=O)[NH+]2C=C(N=C2)CC(C(=O)O)N)C.[Cl-].[Cl-] |
| InChIKey | MIOHZNFLNIQUBB-UHFFFAOYSA-N |
Product Overview
Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- (CAS 52616-31-6), with molecular formula C20H30Cl2N4O3 and molecular weight 444.17 g/mol. IUPAC: [5-[4-(2-amino-2-carboxyethyl)-1H-imidazol-1-ium-1-carbonyl]-2-methylphenyl]-dipropylazanium dichloride.
Chemical Property Profile of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-
Property Insights of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-
The XLogP value of -5.95 indicates that Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-. Following Lipinski's Rule of Five, Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- has 4 hydrogen bond donor(s) and 7 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 Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-?
The CAS number of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- is 52616-31-6.
What is the molecular formula of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-?
The molecular formula of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- is C20H30Cl2N4O3.
What is the molecular weight of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-?
The molecular weight of Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- is 444.17 g/mol.
Where can I buy Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-?
You can request a quote for Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-?
Yes, KEHONG BIO provides custom synthesis services for Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.