BAS 00486693
TL;DR: BAS 00486693 (CAS 292639-87-3) is a chemical compound with molecular formula C22H25ClN2O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide
Also Known As: BAS 00486693, AE-848/34090080, 2-chloro-N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide, (2-chlorophenyl)-N-[3-(piperidylcarbonyl)(4,5,6,7,8-pentahydrocyclohepta[2,1-d ]thiophen-2-yl)]carboxamide, 2-chloro-N-[3-(1-piperidinylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]benzamide
| Molecular Formula | C22H25ClN2O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.5488 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.13254 |
| Heavy Atoms | 28 |
| Complexity | 886.65704 |
Chemical Identifiers
| CAS Number | 292639-87-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
BAS 00486693 (CAS 292639-87-3), with molecular formula C22H25ClN2O2S and molecular weight 416.13 g/mol. IUPAC: 2-chloro-N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide.
Chemical Property Profile of BAS 00486693
Property Insights of BAS 00486693
The XLogP value of 5.5488 indicates that BAS 00486693 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 00486693 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486693 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00486693?
The CAS number of BAS 00486693 is 292639-87-3.
What is the molecular formula of BAS 00486693?
The molecular formula of BAS 00486693 is C22H25ClN2O2S.
What is the molecular weight of BAS 00486693?
The molecular weight of BAS 00486693 is 416.13 g/mol.
Where can I buy BAS 00486693?
You can request a quote for BAS 00486693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486693?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.