BAS 00795885
TL;DR: BAS 00795885 (CAS 333359-00-5) is a chemical compound with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00795885, AE-848/34779027, N-(2-methylphenyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(isobutyrylamino)-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-isobutyramido-N-(o-tolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
| Molecular Formula | C20H24N2O2S |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.78212 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.15585 |
| Heavy Atoms | 25 |
| Complexity | 808.02264 |
Chemical Identifiers
| CAS Number | 333359-00-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C(C)C |
Product Overview
BAS 00795885 (CAS 333359-00-5), with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol. IUPAC: N-(2-methylphenyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00795885
Property Insights of BAS 00795885
The XLogP value of 4.78212 indicates that BAS 00795885 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 00795885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00795885 has 2 hydrogen bond donor(s) and 3 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 00795885?
The CAS number of BAS 00795885 is 333359-00-5.
What is the molecular formula of BAS 00795885?
The molecular formula of BAS 00795885 is C20H24N2O2S.
What is the molecular weight of BAS 00795885?
The molecular weight of BAS 00795885 is 356.16 g/mol.
Where can I buy BAS 00795885?
You can request a quote for BAS 00795885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795885?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.