AB00076375-01
TL;DR: AB00076375-01 (CAS 330181-97-0) is a chemical compound with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00076375-01, (5Z)-5-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-allyl-5-(4-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-(4-methoxybenzylidene)-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H14N2O3S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 1.5079 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0725 |
| Heavy Atoms | 21 |
| Complexity | 634.8237 |
Chemical Identifiers
| CAS Number | 330181-97-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)CC=C |
Product Overview
AB00076375-01 (CAS 330181-97-0), with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol. IUPAC: (5Z)-5-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00076375-01
Property Insights of AB00076375-01
The XLogP value of 1.5079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00076375-01. With a topological polar surface area (TPSA) of 58.64 Ų, AB00076375-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00076375-01 has 1 hydrogen bond donor(s) and 4 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 AB00076375-01?
The CAS number of AB00076375-01 is 330181-97-0.
What is the molecular formula of AB00076375-01?
The molecular formula of AB00076375-01 is C15H14N2O3S.
What is the molecular weight of AB00076375-01?
The molecular weight of AB00076375-01 is 302.07 g/mol.
Where can I buy AB00076375-01?
You can request a quote for AB00076375-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00076375-01?
Yes, KEHONG BIO provides custom synthesis services for AB00076375-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.