Histamine, N-acetyl-5-chloro-
TL;DR: Histamine, N-acetyl-5-chloro- (CAS 959016-31-0) is a chemical compound with molecular formula C7H10ClN3O and molecular weight 187.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]acetamide
Also Known As: Histamine, N-acetyl-5-chloro-, N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]acetamide, N-[2-(5-Chloro-1H-imidazol-4-yl)ethyl]acetamide #, Acetamide, N-[2-(5-chloro-1H-imidazol-4-yl)ethyl]-, ACETAMIDE,N-[2-(5-CHLORO-1H-IMIDAZOL-4-YL)ETHYL]-
| Molecular Formula | C7H10ClN3O |
|---|---|
| Molecular Weight | 187.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.05124 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 959016-31-0 |
|---|---|
| SMILES | CC(=O)NCCC1=C(N=CN1)Cl |
| InChIKey | JZNUYVYWGHWLIL-UHFFFAOYSA-N |
Product Overview
Histamine, N-acetyl-5-chloro- (CAS 959016-31-0), with molecular formula C7H10ClN3O and molecular weight 187.05 g/mol. IUPAC: N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]acetamide.
Chemical Property Profile of Histamine, N-acetyl-5-chloro-
Property Insights of Histamine, N-acetyl-5-chloro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Histamine, N-acetyl-5-chloro-. With a topological polar surface area (TPSA) of 57.8 Ų, Histamine, N-acetyl-5-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Histamine, N-acetyl-5-chloro- has 2 hydrogen bond donor(s) and 2 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 Histamine, N-acetyl-5-chloro-?
The CAS number of Histamine, N-acetyl-5-chloro- is 959016-31-0.
What is the molecular formula of Histamine, N-acetyl-5-chloro-?
The molecular formula of Histamine, N-acetyl-5-chloro- is C7H10ClN3O.
What is the molecular weight of Histamine, N-acetyl-5-chloro-?
The molecular weight of Histamine, N-acetyl-5-chloro- is 187.05 g/mol.
Where can I buy Histamine, N-acetyl-5-chloro-?
You can request a quote for Histamine, N-acetyl-5-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histamine, N-acetyl-5-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Histamine, N-acetyl-5-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.