![{[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid structure](/static/products/3097/309736-23-0.webp)
{[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid
TL;DR: {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid (CAS 309736-23-0) is a chemical compound with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)sulfanyl]acetic acid
Also Known As: BAS 01022522, AH-262/34337023, {[2-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid, 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)sulfanyl]acetic acid, 2-((2-benzamido-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)thio)acetic acid
| Molecular Formula | C17H17NO3S2 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.06497 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 309736-23-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)SCC(=O)O |
| InChIKey | QMIWMUPLCUJCBJ-UHFFFAOYSA-N |
Product Overview
{[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid (CAS 309736-23-0), with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol. IUPAC: 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid
Property Insights of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid
The XLogP value of 4.1 indicates that {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic 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-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid?
The CAS number of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid is 309736-23-0.
What is the molecular formula of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid?
The molecular formula of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid is C17H17NO3S2.
What is the molecular weight of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid?
The molecular weight of {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid is 347.06 g/mol.
Where can I buy {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid?
You can request a quote for {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-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-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.