AB00097894-01
TL;DR: AB00097894-01 (CAS 372506-63-3) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(2-methoxyphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: AB00097894-01, (5Z)-1-(2-methoxyphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-6-hydroxy-3-(2-methoxyphenyl)-5-[(3-methylthiophen-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione, (Z)-1-(2-methoxyphenyl)-5-((3-methylthiophen-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 2.73152 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 868.9804 |
Chemical Identifiers
| CAS Number | 372506-63-3 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3OC |
Product Overview
AB00097894-01 (CAS 372506-63-3), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: (5Z)-1-(2-methoxyphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00097894-01
Property Insights of AB00097894-01
The XLogP value of 2.73152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097894-01. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097894-01. Following Lipinski's Rule of Five, AB00097894-01 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 AB00097894-01?
The CAS number of AB00097894-01 is 372506-63-3.
What is the molecular formula of AB00097894-01?
The molecular formula of AB00097894-01 is C17H14N2O4S.
What is the molecular weight of AB00097894-01?
The molecular weight of AB00097894-01 is 342.07 g/mol.
Where can I buy AB00097894-01?
You can request a quote for AB00097894-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097894-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097894-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.