AJ-292/12414037
TL;DR: AJ-292/12414037 (CAS 351341-40-7) is a chemical compound with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AJ-292/12414037, 2-(benzylsulfanyl)-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-(benzylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-(benzylthio)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C21H22N2O2S2 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 4.7876 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11227 |
| Heavy Atoms | 27 |
| Complexity | 1051.4691 |
Chemical Identifiers
| CAS Number | 351341-40-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C)C |
Product Overview
AJ-292/12414037 (CAS 351341-40-7), with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol. IUPAC: 5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AJ-292/12414037
Property Insights of AJ-292/12414037
The XLogP value of 4.7876 indicates that AJ-292/12414037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, AJ-292/12414037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12414037 has 0 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 AJ-292/12414037?
The CAS number of AJ-292/12414037 is 351341-40-7.
What is the molecular formula of AJ-292/12414037?
The molecular formula of AJ-292/12414037 is C21H22N2O2S2.
What is the molecular weight of AJ-292/12414037?
The molecular weight of AJ-292/12414037 is 398.11 g/mol.
Where can I buy AJ-292/12414037?
You can request a quote for AJ-292/12414037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12414037?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12414037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.