BAS 01392826
TL;DR: BAS 01392826 (CAS 302806-47-9) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01392826, methyl 6-methyl-2-[(pyridin-4-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(isonicotinamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 6-methyl-2-(4-pyridylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene -3-carboxylate, methyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.3068 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 739.7968 |
Chemical Identifiers
| CAS Number | 302806-47-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3 |
Product Overview
BAS 01392826 (CAS 302806-47-9), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: methyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01392826
Property Insights of BAS 01392826
The XLogP value of 3.3068 indicates that BAS 01392826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01392826. Following Lipinski's Rule of Five, BAS 01392826 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 01392826?
The CAS number of BAS 01392826 is 302806-47-9.
What is the molecular formula of BAS 01392826?
The molecular formula of BAS 01392826 is C17H18N2O3S.
What is the molecular weight of BAS 01392826?
The molecular weight of BAS 01392826 is 330.10 g/mol.
Where can I buy BAS 01392826?
You can request a quote for BAS 01392826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01392826?
Yes, KEHONG BIO provides custom synthesis services for BAS 01392826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.