Histamine, N-t-butyloxycarbonyl-4-chloro-
TL;DR: Histamine, N-t-butyloxycarbonyl-4-chloro- (CAS 205585-52-0) is a chemical compound with molecular formula C10H16ClN3O2 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]carbamate
Also Known As: Histamine, N-t-butyloxycarbonyl-4-chloro-, tert-Butyl 2-(5-chloro-1H-imidazol-4-yl)ethylcarbamate, tert-Butyl 2-(5-chloro-1H-imidazol-4-yl)ethylcarbamate #, tert-butyl N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]carbamate
| Molecular Formula | C10H16ClN3O2 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.09311 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 205585-52-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=C(N=CN1)Cl |
| InChIKey | QXAUJXYNXDBCEH-UHFFFAOYSA-N |
Product Overview
Histamine, N-t-butyloxycarbonyl-4-chloro- (CAS 205585-52-0), with molecular formula C10H16ClN3O2 and molecular weight 245.09 g/mol. IUPAC: tert-butyl N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]carbamate.
Chemical Property Profile of Histamine, N-t-butyloxycarbonyl-4-chloro-
Property Insights of Histamine, N-t-butyloxycarbonyl-4-chloro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Histamine, N-t-butyloxycarbonyl-4-chloro-. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Histamine, N-t-butyloxycarbonyl-4-chloro-. Following Lipinski's Rule of Five, Histamine, N-t-butyloxycarbonyl-4-chloro- has 2 hydrogen bond donor(s) and 3 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-t-butyloxycarbonyl-4-chloro-?
The CAS number of Histamine, N-t-butyloxycarbonyl-4-chloro- is 205585-52-0.
What is the molecular formula of Histamine, N-t-butyloxycarbonyl-4-chloro-?
The molecular formula of Histamine, N-t-butyloxycarbonyl-4-chloro- is C10H16ClN3O2.
What is the molecular weight of Histamine, N-t-butyloxycarbonyl-4-chloro-?
The molecular weight of Histamine, N-t-butyloxycarbonyl-4-chloro- is 245.09 g/mol.
Where can I buy Histamine, N-t-butyloxycarbonyl-4-chloro-?
You can request a quote for Histamine, N-t-butyloxycarbonyl-4-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-t-butyloxycarbonyl-4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Histamine, N-t-butyloxycarbonyl-4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.