A2681/0114291
TL;DR: A2681/0114291 (CAS 353771-68-3) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2681/0114291, methyl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(2-methyl-3-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-{[(2-METHYL-3-FURYL)CARBONYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-{[(2-methylfuran-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 353771-68-3 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
| InChIKey | OECXAGGAYRRUIC-UHFFFAOYSA-N |
Product Overview
A2681/0114291 (CAS 353771-68-3), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: methyl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2681/0114291
Property Insights of A2681/0114291
The XLogP value of 3.9 indicates that A2681/0114291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A2681/0114291. Following Lipinski's Rule of Five, A2681/0114291 has 1 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 A2681/0114291?
The CAS number of A2681/0114291 is 353771-68-3.
What is the molecular formula of A2681/0114291?
The molecular formula of A2681/0114291 is C16H17NO4S.
What is the molecular weight of A2681/0114291?
The molecular weight of A2681/0114291 is 319.09 g/mol.
Where can I buy A2681/0114291?
You can request a quote for A2681/0114291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2681/0114291?
Yes, KEHONG BIO provides custom synthesis services for A2681/0114291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.