BAS 00486845
TL;DR: BAS 00486845 (CAS 329068-41-9) is a chemical compound with molecular formula C22H22N2O2S2 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00486845, BIM-0025292.P001, N-(2-methylphenyl)-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-methylphenyl)-2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-methylphenyl)-2-[(thiophen-2-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C22H22N2O2S2 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 5.89152 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.11227 |
| Heavy Atoms | 28 |
| Complexity | 1005.7257 |
Chemical Identifiers
| CAS Number | 329068-41-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=CS4 |
Product Overview
BAS 00486845 (CAS 329068-41-9), with molecular formula C22H22N2O2S2 and molecular weight 410.11 g/mol. IUPAC: N-(2-methylphenyl)-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486845
Property Insights of BAS 00486845
The XLogP value of 5.89152 indicates that BAS 00486845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 00486845 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486845 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00486845?
The CAS number of BAS 00486845 is 329068-41-9.
What is the molecular formula of BAS 00486845?
The molecular formula of BAS 00486845 is C22H22N2O2S2.
What is the molecular weight of BAS 00486845?
The molecular weight of BAS 00486845 is 410.11 g/mol.
Where can I buy BAS 00486845?
You can request a quote for BAS 00486845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486845?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.