BAS 13090649
TL;DR: BAS 13090649 (CAS 727673-04-3) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydroindole-5-carboxamide
Also Known As: BAS 13090649, A3756/0159237, 1-methylsulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydroindole-5-carboxamide, [1-(methylsulfonyl)indolin-5-yl]-N-[4-(4-pyridylmethyl)phenyl]carboxamide, 1-(methylsulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]indoline-5-carboxamide
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 3.2468 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1143.6798 |
Chemical Identifiers
| CAS Number | 727673-04-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4 |
Product Overview
BAS 13090649 (CAS 727673-04-3), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: 1-methylsulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydroindole-5-carboxamide.
Chemical Property Profile of BAS 13090649
Property Insights of BAS 13090649
The XLogP value of 3.2468 indicates that BAS 13090649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13090649. Following Lipinski's Rule of Five, BAS 13090649 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 13090649?
The CAS number of BAS 13090649 is 727673-04-3.
What is the molecular formula of BAS 13090649?
The molecular formula of BAS 13090649 is C22H21N3O3S.
What is the molecular weight of BAS 13090649?
The molecular weight of BAS 13090649 is 407.13 g/mol.
Where can I buy BAS 13090649?
You can request a quote for BAS 13090649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13090649?
Yes, KEHONG BIO provides custom synthesis services for BAS 13090649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.