AB00745819-01
TL;DR: AB00745819-01 (CAS 384368-21-2) is a chemical compound with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
Also Known As: AB00745819-01, methyl {[3-(3-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, methyl 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.50942 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1068.5669 |
Chemical Identifiers
| CAS Number | 384368-21-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCC4 |
Product Overview
AB00745819-01 (CAS 384368-21-2), with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol. IUPAC: methyl 2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate.
Chemical Property Profile of AB00745819-01
Property Insights of AB00745819-01
The XLogP value of 3.50942 indicates that AB00745819-01 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 AB00745819-01. Following Lipinski's Rule of Five, AB00745819-01 has 0 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 AB00745819-01?
The CAS number of AB00745819-01 is 384368-21-2.
What is the molecular formula of AB00745819-01?
The molecular formula of AB00745819-01 is C19H18N2O3S2.
What is the molecular weight of AB00745819-01?
The molecular weight of AB00745819-01 is 386.08 g/mol.
Where can I buy AB00745819-01?
You can request a quote for AB00745819-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00745819-01?
Yes, KEHONG BIO provides custom synthesis services for AB00745819-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.