![1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole structure](/static/products/6777/677749-41-6.webp)
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole (CAS 677749-41-6) is a chemical compound with molecular formula C10H7ClN4S and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole
Also Known As: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole, 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole, 5-(benzotriazol-1-ylmethyl)-2-chloro-thiazole, 10P-971, 1H-Benzotriazole, 1-[(2-chloro-5-thiazolyl)methyl]-
| Molecular Formula | C10H7ClN4S |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 2.5895 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.008 |
| Heavy Atoms | 16 |
| Complexity | 630.3303 |
Chemical Identifiers
| CAS Number | 677749-41-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=CN=C(S3)Cl |
Product Overview
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole (CAS 677749-41-6), with molecular formula C10H7ClN4S and molecular weight 250.01 g/mol. IUPAC: 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole.
Chemical Property Profile of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole
The XLogP value of 2.5895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 43.6 Ų, 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 4 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 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole is 677749-41-6.
What is the molecular formula of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole is C10H7ClN4S.
What is the molecular weight of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole is 250.01 g/mol.
Where can I buy 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.