BAS 00288912
TL;DR: BAS 00288912 (CAS 330819-66-4) is a chemical compound with molecular formula C12H12N4O2S2 and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-14-sulfanylidene-5-oxa-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
Also Known As: BAS 00288912, 7,7-dimethyl-3-thioxo-1,2,3,6,7,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5-one, 7,7-dimethyl-3-thioxo-2,3,6,7-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
| Molecular Formula | C12H12N4O2S2 |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.14619 |
| Topological Polar Surface Area | 75.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.04016 |
| Heavy Atoms | 20 |
| Complexity | 959.54376 |
Chemical Identifiers
| CAS Number | 330819-66-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=N3)NNC4=S)C |
Product Overview
BAS 00288912 (CAS 330819-66-4), with molecular formula C12H12N4O2S2 and molecular weight 308.04 g/mol. IUPAC: 4,4-dimethyl-14-sulfanylidene-5-oxa-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.
Chemical Property Profile of BAS 00288912
Property Insights of BAS 00288912
The XLogP value of 2.14619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288912. The TPSA of 75.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288912. Following Lipinski's Rule of Five, BAS 00288912 has 2 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 00288912?
The CAS number of BAS 00288912 is 330819-66-4.
What is the molecular formula of BAS 00288912?
The molecular formula of BAS 00288912 is C12H12N4O2S2.
What is the molecular weight of BAS 00288912?
The molecular weight of BAS 00288912 is 308.04 g/mol.
Where can I buy BAS 00288912?
You can request a quote for BAS 00288912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288912?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.