AB00718118-01
TL;DR: AB00718118-01 (CAS 499232-33-6) is a chemical compound with molecular formula C16H13FN2S2 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(4-fluorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
Also Known As: AB00718118-01, 12-{[(4-fluorophenyl)methyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene, 4-[(4-fluorophenyl)methylthio]-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b ]thiophene, 12-{[(4-fluorophenyl)methyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
| Molecular Formula | C16H13FN2S2 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 4.6114 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0504 |
| Heavy Atoms | 21 |
| Complexity | 795.8922 |
Chemical Identifiers
| CAS Number | 499232-33-6 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC4=CC=C(C=C4)F |
Product Overview
AB00718118-01 (CAS 499232-33-6), with molecular formula C16H13FN2S2 and molecular weight 316.05 g/mol. IUPAC: 12-[(4-fluorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
Chemical Property Profile of AB00718118-01
Property Insights of AB00718118-01
The XLogP value of 4.6114 indicates that AB00718118-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, AB00718118-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00718118-01 has 0 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 AB00718118-01?
The CAS number of AB00718118-01 is 499232-33-6.
What is the molecular formula of AB00718118-01?
The molecular formula of AB00718118-01 is C16H13FN2S2.
What is the molecular weight of AB00718118-01?
The molecular weight of AB00718118-01 is 316.05 g/mol.
Where can I buy AB00718118-01?
You can request a quote for AB00718118-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00718118-01?
Yes, KEHONG BIO provides custom synthesis services for AB00718118-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.