AB00100472-01
TL;DR: AB00100472-01 (CAS 312502-39-9) is a chemical compound with molecular formula C19H14N2O4S and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate
Also Known As: AB00100472-01, A1905/0080056, methyl 4-[(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoate, methyl 4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate, (E)-methyl 4-((4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoate
| Molecular Formula | C19H14N2O4S |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 2.3045 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.0674 |
| Heavy Atoms | 26 |
| Complexity | 920.3151 |
Chemical Identifiers
| CAS Number | 312502-39-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3 |
Product Overview
AB00100472-01 (CAS 312502-39-9), with molecular formula C19H14N2O4S and molecular weight 366.07 g/mol. IUPAC: methyl 4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate.
Chemical Property Profile of AB00100472-01
Property Insights of AB00100472-01
The XLogP value of 2.3045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00100472-01. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100472-01. Following Lipinski's Rule of Five, AB00100472-01 has 1 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 AB00100472-01?
The CAS number of AB00100472-01 is 312502-39-9.
What is the molecular formula of AB00100472-01?
The molecular formula of AB00100472-01 is C19H14N2O4S.
What is the molecular weight of AB00100472-01?
The molecular weight of AB00100472-01 is 366.07 g/mol.
Where can I buy AB00100472-01?
You can request a quote for AB00100472-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100472-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100472-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.