AB00119392-01
TL;DR: AB00119392-01 (CAS 431997-48-7) is a chemical compound with molecular formula C24H17FN2O5S and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate
Also Known As: AB00119392-01, methyl 4-(5-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoate, (Z)-methyl 4-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)-3-methylbenzoate, methyl 4-[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate
| Molecular Formula | C24H17FN2O5S |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 4.01202 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.08423 |
| Heavy Atoms | 33 |
| Complexity | 1326.8774 |
Chemical Identifiers
| CAS Number | 431997-48-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
AB00119392-01 (CAS 431997-48-7), with molecular formula C24H17FN2O5S and molecular weight 464.08 g/mol. IUPAC: methyl 4-[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate.
Chemical Property Profile of AB00119392-01
Property Insights of AB00119392-01
The XLogP value of 4.01202 indicates that AB00119392-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00119392-01. Following Lipinski's Rule of Five, AB00119392-01 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 AB00119392-01?
The CAS number of AB00119392-01 is 431997-48-7.
What is the molecular formula of AB00119392-01?
The molecular formula of AB00119392-01 is C24H17FN2O5S.
What is the molecular weight of AB00119392-01?
The molecular weight of AB00119392-01 is 464.08 g/mol.
Where can I buy AB00119392-01?
You can request a quote for AB00119392-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119392-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119392-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.