BAS 00781711
TL;DR: BAS 00781711 (CAS 313703-23-0) is a chemical compound with molecular formula C16H14FNO3S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00781711, methyl 2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(4-fluorobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(4-fluorophenyl)carbonylamino]-4,5,6-trihydrocyclopenta[2,1-b]thioph ene-3-carboxylate, methyl 2-{[(4-fluorophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H14FNO3S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06784 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 313703-23-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(C=C3)F |
| InChIKey | BUKYOILTFAFNBL-UHFFFAOYSA-N |
Product Overview
BAS 00781711 (CAS 313703-23-0), with molecular formula C16H14FNO3S and molecular weight 319.07 g/mol. IUPAC: methyl 2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00781711
Property Insights of BAS 00781711
The XLogP value of 4.0 indicates that BAS 00781711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00781711. Following Lipinski's Rule of Five, BAS 00781711 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 BAS 00781711?
The CAS number of BAS 00781711 is 313703-23-0.
What is the molecular formula of BAS 00781711?
The molecular formula of BAS 00781711 is C16H14FNO3S.
What is the molecular weight of BAS 00781711?
The molecular weight of BAS 00781711 is 319.07 g/mol.
Where can I buy BAS 00781711?
You can request a quote for BAS 00781711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781711?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.