AB00091416-01
TL;DR: AB00091416-01 (CAS 351165-33-8) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dimethoxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: AB00091416-01, F3220-0546, 5-{[(3,4-DIMETHOXYPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-(((3,4-dimethoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3,4-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 1.90589 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 794.7339 |
Chemical Identifiers
| CAS Number | 351165-33-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N=CC2=C(NC(=S)NC2=O)O)OC |
Product Overview
AB00091416-01 (CAS 351165-33-8), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: 5-[(3,4-dimethoxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of AB00091416-01
Property Insights of AB00091416-01
The XLogP value of 1.90589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00091416-01. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00091416-01. Following Lipinski's Rule of Five, AB00091416-01 has 3 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 AB00091416-01?
The CAS number of AB00091416-01 is 351165-33-8.
What is the molecular formula of AB00091416-01?
The molecular formula of AB00091416-01 is C13H13N3O4S.
What is the molecular weight of AB00091416-01?
The molecular weight of AB00091416-01 is 307.06 g/mol.
Where can I buy AB00091416-01?
You can request a quote for AB00091416-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091416-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091416-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.