BAS 01533246
TL;DR: BAS 01533246 (CAS 312949-79-4) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide
Also Known As: BAS 01533246, BIM-0016038.P001, AB00102368-01, 2-methyl-N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide, (2-methylphenyl)-N-[3-(morpholin-4-ylcarbonyl)(4,5,6,7,8-pentahydrocyclohepta[ 2,1-d]thiophen-2-yl)]carboxamide
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 4.05012 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 883.90216 |
Chemical Identifiers
| CAS Number | 312949-79-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N4CCOCC4 |
Product Overview
BAS 01533246 (CAS 312949-79-4), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: 2-methyl-N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide.
Chemical Property Profile of BAS 01533246
Property Insights of BAS 01533246
The XLogP value of 4.05012 indicates that BAS 01533246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 01533246 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01533246 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 01533246?
The CAS number of BAS 01533246 is 312949-79-4.
What is the molecular formula of BAS 01533246?
The molecular formula of BAS 01533246 is C22H26N2O3S.
What is the molecular weight of BAS 01533246?
The molecular weight of BAS 01533246 is 398.17 g/mol.
Where can I buy BAS 01533246?
You can request a quote for BAS 01533246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01533246?
Yes, KEHONG BIO provides custom synthesis services for BAS 01533246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.