BAS 00338347
TL;DR: BAS 00338347 (CAS 329212-72-8) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3,3,7-trimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: BAS 00338347, 6-amino-3,3,7-trimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-amino-3,3,7-trimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 6-amino-3,3,7-trimethyl-8-thioxo-3,4,7-trihydro-1H-pyrano[3,4-c]pyridine-5-car bonitrile
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 329212-72-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)C)C |
| InChIKey | LPGBFJNAZBWSQY-UHFFFAOYSA-N |
Product Overview
BAS 00338347 (CAS 329212-72-8), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 6-amino-3,3,7-trimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00338347
Property Insights of BAS 00338347
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00338347. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00338347. Following Lipinski's Rule of Five, BAS 00338347 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 00338347?
The CAS number of BAS 00338347 is 329212-72-8.
What is the molecular formula of BAS 00338347?
The molecular formula of BAS 00338347 is C12H15N3OS.
What is the molecular weight of BAS 00338347?
The molecular weight of BAS 00338347 is 249.09 g/mol.
Where can I buy BAS 00338347?
You can request a quote for BAS 00338347 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00338347?
Yes, KEHONG BIO provides custom synthesis services for BAS 00338347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.