BAS 00486851
TL;DR: BAS 00486851 (CAS 331718-84-4) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]thiophene-2-carboxamide
Also Known As: BAS 00486851, N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]thiophene-2-carboxamide, N-[3-(piperidin-1-ylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]thiophene-2-carboxamide, N-[3-(PIPERIDINE-1-CARBONYL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL]THIOPHENE-2-CARBOXAMIDE, N-[3-(piperidylcarbonyl)(4,5,6,7,8-pentahydrocyclohepta[2,1-d]thiophen-2-yl)]- 2-thienylcarboxamide
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 4.9569 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 789.0932 |
Chemical Identifiers
| CAS Number | 331718-84-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=CS4 |
Product Overview
BAS 00486851 (CAS 331718-84-4), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of BAS 00486851
Property Insights of BAS 00486851
The XLogP value of 4.9569 indicates that BAS 00486851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 00486851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486851 has 1 hydrogen bond donor(s) and 4 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 00486851?
The CAS number of BAS 00486851 is 331718-84-4.
What is the molecular formula of BAS 00486851?
The molecular formula of BAS 00486851 is C20H24N2O2S2.
What is the molecular weight of BAS 00486851?
The molecular weight of BAS 00486851 is 388.13 g/mol.
Where can I buy BAS 00486851?
You can request a quote for BAS 00486851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486851?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.