![(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid structure](/static/products/3129/312928-72-6.webp)
(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
TL;DR: (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid (CAS 312928-72-6) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid
Also Known As: CRTh2 antagonist 3, BAS 00450536, J3.484.759B, (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, 2-[2-[[2-(2,6-Dimethylphenoxy)ethyl]thio]-1-benzimidazolyl]acetic Acid
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.90884 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 884.5706 |
Chemical Identifiers
| CAS Number | 312928-72-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCCSC2=NC3=CC=CC=C3N2CC(=O)O |
Product Overview
(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid (CAS 312928-72-6), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: 2-[2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid.
Chemical Property Profile of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
Property Insights of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
The XLogP value of 3.90884 indicates that (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid has 1 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 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid?
The CAS number of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid is 312928-72-6.
What is the molecular formula of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid?
The molecular formula of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid is C19H20N2O3S.
What is the molecular weight of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid?
The molecular weight of (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid is 356.12 g/mol.
Where can I buy (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid?
You can request a quote for (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)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-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.