BAS 00486690
TL;DR: BAS 00486690 (CAS 418792-83-3) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 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]pyridine-4-carboxamide
Also Known As: BAS 00486690, BIM-0006622.P001, N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide, N-[3-(piperidin-1-ylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 4.2904 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 825.45233 |
Chemical Identifiers
| CAS Number | 418792-83-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=NC=C4 |
Product Overview
BAS 00486690 (CAS 418792-83-3), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide.
Chemical Property Profile of BAS 00486690
Property Insights of BAS 00486690
The XLogP value of 4.2904 indicates that BAS 00486690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486690. Following Lipinski's Rule of Five, BAS 00486690 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 00486690?
The CAS number of BAS 00486690 is 418792-83-3.
What is the molecular formula of BAS 00486690?
The molecular formula of BAS 00486690 is C21H25N3O2S.
What is the molecular weight of BAS 00486690?
The molecular weight of BAS 00486690 is 383.17 g/mol.
Where can I buy BAS 00486690?
You can request a quote for BAS 00486690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486690?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.