![2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid structure](/static/products/5544/554404-08-9.webp)
2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
TL;DR: 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid (CAS 554404-08-9) is a chemical compound with molecular formula C16H13ClN2O2S and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
Also Known As: 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid, (1-Benzyl-5-chloro-1H-benzoimidazol-2-ylsulfanyl)-acetic acid, IDI1_007565, 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid, [(1-benzyl-5-chloro-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
| Molecular Formula | C16H13ClN2O2S |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 3.9147 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.03864 |
| Heavy Atoms | 22 |
| Complexity | 817.6288 |
Chemical Identifiers
| CAS Number | 554404-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)O |
Product Overview
2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid (CAS 554404-08-9), with molecular formula C16H13ClN2O2S and molecular weight 332.04 g/mol. IUPAC: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
Property Insights of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
The XLogP value of 3.9147 indicates that 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid has 1 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 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid?
The CAS number of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid is 554404-08-9.
What is the molecular formula of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid is C16H13ClN2O2S.
What is the molecular weight of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid is 332.04 g/mol.
Where can I buy 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.