BAS 00486683
TL;DR: BAS 00486683 (CAS 404026-29-5) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide
Also Known As: BAS 00486683, N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide, N-[3-(morpholin-4-ylcarbonyl)(4,5,6,7,8-pentahydrocyclohepta[2,1-d]thiophen-2- yl)]-4-pyridylcarboxamide, N-[3-(morpholin-4-ylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.1367 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 828.4975 |
Chemical Identifiers
| CAS Number | 404026-29-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4=CC=NC=C4 |
Product Overview
BAS 00486683 (CAS 404026-29-5), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-4-carboxamide.
Chemical Property Profile of BAS 00486683
Property Insights of BAS 00486683
The XLogP value of 3.1367 indicates that BAS 00486683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486683. Following Lipinski's Rule of Five, BAS 00486683 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 00486683?
The CAS number of BAS 00486683 is 404026-29-5.
What is the molecular formula of BAS 00486683?
The molecular formula of BAS 00486683 is C20H23N3O3S.
What is the molecular weight of BAS 00486683?
The molecular weight of BAS 00486683 is 385.15 g/mol.
Where can I buy BAS 00486683?
You can request a quote for BAS 00486683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486683?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.