BAS 00338331
TL;DR: BAS 00338331 (CAS 155473-85-1) is a chemical compound with molecular formula C11H12N2OS2 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3,3-dimethyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile
Also Known As: BAS 00338331, BRD-K58615820-001-07-4, 6-amino-3,3-dimethyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile, 6-amino-3,3-dimethyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile, 6-amino-3,3-dimethyl-8-thioxo-1,3,4,8-tetrahydrothiopyrano[3,4-c]pyran-5-carbonitrile
| Molecular Formula | C11H12N2OS2 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.03911 |
| Heavy Atoms | 16 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 155473-85-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=S)SC(=C2C#N)N)C |
| InChIKey | TZABRSKNZQQCGP-UHFFFAOYSA-N |
Product Overview
BAS 00338331 (CAS 155473-85-1), with molecular formula C11H12N2OS2 and molecular weight 252.04 g/mol. IUPAC: 6-amino-3,3-dimethyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile.
Chemical Property Profile of BAS 00338331
Property Insights of BAS 00338331
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00338331. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00338331. Following Lipinski's Rule of Five, BAS 00338331 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 00338331?
The CAS number of BAS 00338331 is 155473-85-1.
What is the molecular formula of BAS 00338331?
The molecular formula of BAS 00338331 is C11H12N2OS2.
What is the molecular weight of BAS 00338331?
The molecular weight of BAS 00338331 is 252.04 g/mol.
Where can I buy BAS 00338331?
You can request a quote for BAS 00338331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00338331?
Yes, KEHONG BIO provides custom synthesis services for BAS 00338331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.