AJ-292/12676369
TL;DR: AJ-292/12676369 (CAS 351007-61-9) is a chemical compound with molecular formula C23H32N2O3S2 and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[(3-cyclohexyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: AJ-292/12676369, pentyl 2-[(3-cyclohexyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, pentyl [(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, pentyl [(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetate, pentyl 2-((3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C23H32N2O3S2 |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 5.6675 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.18542 |
| Heavy Atoms | 30 |
| Complexity | 944.0518 |
Chemical Identifiers
| CAS Number | 351007-61-9 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4CCCCC4 |
Product Overview
AJ-292/12676369 (CAS 351007-61-9), with molecular formula C23H32N2O3S2 and molecular weight 448.19 g/mol. IUPAC: pentyl 2-[(3-cyclohexyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of AJ-292/12676369
Property Insights of AJ-292/12676369
The XLogP value of 5.6675 indicates that AJ-292/12676369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/12676369. Following Lipinski's Rule of Five, AJ-292/12676369 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/12676369?
The CAS number of AJ-292/12676369 is 351007-61-9.
What is the molecular formula of AJ-292/12676369?
The molecular formula of AJ-292/12676369 is C23H32N2O3S2.
What is the molecular weight of AJ-292/12676369?
The molecular weight of AJ-292/12676369 is 448.19 g/mol.
Where can I buy AJ-292/12676369?
You can request a quote for AJ-292/12676369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12676369?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12676369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.