硝酸溴
TL;DR: 硝酸溴 (CAS 40423-14-1) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸溴
N-benzyl-4-(4-chlorophenyl)-1,3-thiazol-2-amine
Also Known As: n-benzyl-4-(4-chlorophenyl)-1,3-thiazol-2-amine, N-Benzyl-4-(4-chlorophenyl)thiazol-2-amine, BAS 05261468, 2-benzylamino-4-(p-chlorophenyl)thiazole, 2-Thiazolamine,4-(4-chlorophenyl)-N-(phenylmethyl)-
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 40423-14-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CC=C(C=C3)Cl |
| InChIKey | QQDAIBUEPKCZLS-UHFFFAOYSA-N |
Product Overview
硝酸溴 (CAS 40423-14-1), with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol. IUPAC: N-benzyl-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
Chemical Property Profile of 硝酸溴
Property Insights of 硝酸溴
The XLogP value of 5.1 indicates that 硝酸溴 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, 硝酸溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸溴 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硝酸溴?
The CAS number of 硝酸溴 is 40423-14-1.
What is the molecular formula of 硝酸溴?
The molecular formula of 硝酸溴 is C16H13ClN2S.
What is the molecular weight of 硝酸溴?
The molecular weight of 硝酸溴 is 300.05 g/mol.
Where can I buy 硝酸溴?
You can request a quote for 硝酸溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸溴?
Yes, KEHONG BIO provides custom synthesis services for 硝酸溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.