A2048/0086136
TL;DR: A2048/0086136 (CAS 312538-06-0) is a chemical compound with molecular formula C21H23FN2O2S and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
Also Known As: A2048/0086136, N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide, N-[3-(1-azepanylcarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]-2-fluorobenzamide, N-[3-(azepan-1-ylcarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide, N-[3-(AZEPANE-1-CARBONYL)-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL]-2-FLUOROBENZAMIDE
| Molecular Formula | C21H23FN2O2S |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 4.6444 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.14642 |
| Heavy Atoms | 27 |
| Complexity | 869.0617 |
Chemical Identifiers
| CAS Number | 312538-06-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=C(SC3=C2CCC3)NC(=O)C4=CC=CC=C4F |
Product Overview
A2048/0086136 (CAS 312538-06-0), with molecular formula C21H23FN2O2S and molecular weight 386.15 g/mol. IUPAC: N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide.
Chemical Property Profile of A2048/0086136
Property Insights of A2048/0086136
The XLogP value of 4.6444 indicates that A2048/0086136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, A2048/0086136 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2048/0086136 has 1 hydrogen bond donor(s) and 3 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 A2048/0086136?
The CAS number of A2048/0086136 is 312538-06-0.
What is the molecular formula of A2048/0086136?
The molecular formula of A2048/0086136 is C21H23FN2O2S.
What is the molecular weight of A2048/0086136?
The molecular weight of A2048/0086136 is 386.15 g/mol.
Where can I buy A2048/0086136?
You can request a quote for A2048/0086136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2048/0086136?
Yes, KEHONG BIO provides custom synthesis services for A2048/0086136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.