BAS 01076537
TL;DR: BAS 01076537 (CAS 334506-26-2) is a chemical compound with molecular formula C18H19N3OS and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-ethyl-3-methyl-7-phenyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: BAS 01076537, AE-848/11105215, 6-amino-3-ethyl-3-methyl-7-phenyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, BRD-A39193711-001-08-8, 6-amino-3-ethyl-3-methyl-7-phenyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C18H19N3OS |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 3.90207 |
| Topological Polar Surface Area | 63.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.12488 |
| Heavy Atoms | 23 |
| Complexity | 851.296 |
Chemical Identifiers
| CAS Number | 334506-26-2 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)C3=CC=CC=C3)C |
Product Overview
BAS 01076537 (CAS 334506-26-2), with molecular formula C18H19N3OS and molecular weight 325.12 g/mol. IUPAC: 6-amino-3-ethyl-3-methyl-7-phenyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of BAS 01076537
Property Insights of BAS 01076537
The XLogP value of 3.90207 indicates that BAS 01076537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01076537. Following Lipinski's Rule of Five, BAS 01076537 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 01076537?
The CAS number of BAS 01076537 is 334506-26-2.
What is the molecular formula of BAS 01076537?
The molecular formula of BAS 01076537 is C18H19N3OS.
What is the molecular weight of BAS 01076537?
The molecular weight of BAS 01076537 is 325.12 g/mol.
Where can I buy BAS 01076537?
You can request a quote for BAS 01076537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01076537?
Yes, KEHONG BIO provides custom synthesis services for BAS 01076537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.