![2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid structure](/static/products/7936/793679-41-1.webp)
2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
TL;DR: 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 793679-41-1) is a chemical compound with molecular formula C16H13NO5S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-({[(1,3-dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoic acid, 2-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio}benzoic acid, 2-(benzo[1,3]dioxol-5-ylcarbamoylmethylsulfanyl)benzoic Acid
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 2.8443 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 761.88586 |
Chemical Identifiers
| CAS Number | 793679-41-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)O |
Product Overview
2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 793679-41-1), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
Property Insights of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
The XLogP value of 2.8443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The CAS number of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid is 793679-41-1.
What is the molecular formula of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular formula of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid is C16H13NO5S.
What is the molecular weight of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular weight of 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid is 331.05 g/mol.
Where can I buy 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
You can request a quote for 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.