AB00097981-01
TL;DR: AB00097981-01 (CAS 346642-24-8) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00097981-01, (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 346642-24-8 |
|---|---|
| SMILES | CN1C=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3 |
| InChIKey | MEGFBASJGORXIQ-RAXLEYEMSA-N |
Product Overview
AB00097981-01 (CAS 346642-24-8), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00097981-01
Property Insights of AB00097981-01
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097981-01. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097981-01. Following Lipinski's Rule of Five, AB00097981-01 has 1 hydrogen bond donor(s) and 3 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 AB00097981-01?
The CAS number of AB00097981-01 is 346642-24-8.
What is the molecular formula of AB00097981-01?
The molecular formula of AB00097981-01 is C16H13N3O2S.
What is the molecular weight of AB00097981-01?
The molecular weight of AB00097981-01 is 311.07 g/mol.
Where can I buy AB00097981-01?
You can request a quote for AB00097981-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097981-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097981-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.