AJ-292/37013058
TL;DR: AJ-292/37013058 (CAS 352660-99-2) is a chemical compound with molecular formula C13H16N2O2S2 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: AJ-292/37013058, 3-ethyl-6,6-dimethyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-ethyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 4-ethyl-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 3-ethyl-6,6-dimethyl-2-sulfanylidene-5,8-dihydro-1H-pyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C13H16N2O2S2 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.99179 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.0653 |
| Heavy Atoms | 19 |
| Complexity | 767.2668 |
Chemical Identifiers
| CAS Number | 352660-99-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(NC1=S)SC3=C2CC(OC3)(C)C |
Product Overview
AJ-292/37013058 (CAS 352660-99-2), with molecular formula C13H16N2O2S2 and molecular weight 296.07 g/mol. IUPAC: 4-ethyl-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of AJ-292/37013058
Property Insights of AJ-292/37013058
The XLogP value of 2.99179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/37013058. With a topological polar surface area (TPSA) of 47.02 Ų, AJ-292/37013058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/37013058 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 AJ-292/37013058?
The CAS number of AJ-292/37013058 is 352660-99-2.
What is the molecular formula of AJ-292/37013058?
The molecular formula of AJ-292/37013058 is C13H16N2O2S2.
What is the molecular weight of AJ-292/37013058?
The molecular weight of AJ-292/37013058 is 296.07 g/mol.
Where can I buy AJ-292/37013058?
You can request a quote for AJ-292/37013058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/37013058?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/37013058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.