AJ-292/13049002
TL;DR: AJ-292/13049002 (CAS 351006-93-4) is a chemical compound with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyclohexyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile
Also Known As: AJ-292/13049002, [(3-cyclohexyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile, [(3-CYCLOHEXYL-6,6-DIMETHYL-4-OXO-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]METHYL CYANIDE, 2-((3-cyclohexyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile, 2-({4-cyclohexyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetonitrile
| Molecular Formula | C19H23N3O2S2 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.12317 |
| Heavy Atoms | 26 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 351006-93-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC#N)C4CCCCC4)C |
| InChIKey | DTGOBGBWHBECIW-UHFFFAOYSA-N |
Product Overview
AJ-292/13049002 (CAS 351006-93-4), with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol. IUPAC: 2-[(4-cyclohexyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile.
Chemical Property Profile of AJ-292/13049002
Property Insights of AJ-292/13049002
The XLogP value of 3.8 indicates that AJ-292/13049002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13049002. Following Lipinski's Rule of Five, AJ-292/13049002 has 0 hydrogen bond donor(s) and 6 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-292/13049002?
The CAS number of AJ-292/13049002 is 351006-93-4.
What is the molecular formula of AJ-292/13049002?
The molecular formula of AJ-292/13049002 is C19H23N3O2S2.
What is the molecular weight of AJ-292/13049002?
The molecular weight of AJ-292/13049002 is 389.12 g/mol.
Where can I buy AJ-292/13049002?
You can request a quote for AJ-292/13049002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13049002?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13049002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.