AB00685610-01
TL;DR: AB00685610-01 (CAS 433702-10-4) is a chemical compound with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate
Also Known As: AB00685610-01, AS-871/40975195, F1102-0004, methyl 4-{[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate, methyl 4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate
| Molecular Formula | C18H16N2O3S2 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 3.5522 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.06024 |
| Heavy Atoms | 25 |
| Complexity | 1005.57336 |
Chemical Identifiers
| CAS Number | 433702-10-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 |
Product Overview
AB00685610-01 (CAS 433702-10-4), with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol. IUPAC: methyl 4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of AB00685610-01
Property Insights of AB00685610-01
The XLogP value of 3.5522 indicates that AB00685610-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685610-01. Following Lipinski's Rule of Five, AB00685610-01 has 1 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 AB00685610-01?
The CAS number of AB00685610-01 is 433702-10-4.
What is the molecular formula of AB00685610-01?
The molecular formula of AB00685610-01 is C18H16N2O3S2.
What is the molecular weight of AB00685610-01?
The molecular weight of AB00685610-01 is 372.06 g/mol.
Where can I buy AB00685610-01?
You can request a quote for AB00685610-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685610-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685610-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.