AB00097677-01
TL;DR: AB00097677-01 (CAS 351007-04-0) is a chemical compound with molecular formula C18H22N2O2S2 and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(2-methylprop-2-enyl)-5-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AB00097677-01, 2-(allylthio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 6,6-dimethyl-3-(2-methylprop-2-enyl)-2-prop-2-enylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C18H22N2O2S2 |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 4.1635 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.11227 |
| Heavy Atoms | 24 |
| Complexity | 877.2516 |
Chemical Identifiers
| CAS Number | 351007-04-0 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC=C)SC3=C2CC(OC3)(C)C |
Product Overview
AB00097677-01 (CAS 351007-04-0), with molecular formula C18H22N2O2S2 and molecular weight 362.11 g/mol. IUPAC: 12,12-dimethyl-4-(2-methylprop-2-enyl)-5-prop-2-enylsulfanyl-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 AB00097677-01
Property Insights of AB00097677-01
The XLogP value of 4.1635 indicates that AB00097677-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, AB00097677-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00097677-01 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 AB00097677-01?
The CAS number of AB00097677-01 is 351007-04-0.
What is the molecular formula of AB00097677-01?
The molecular formula of AB00097677-01 is C18H22N2O2S2.
What is the molecular weight of AB00097677-01?
The molecular weight of AB00097677-01 is 362.11 g/mol.
Where can I buy AB00097677-01?
You can request a quote for AB00097677-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097677-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097677-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.