(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 340313-85-1) is a chemical compound with molecular formula C19H14N2O5S and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H14N2O5S |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 2.2552 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.06235 |
| Heavy Atoms | 27 |
| Complexity | 984.09454 |
Chemical Identifiers
| CAS Number | 340313-85-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/C(=O)NC2=S |
Product Overview
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 340313-85-1), with molecular formula C19H14N2O5S and molecular weight 382.06 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.2552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 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 (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 340313-85-1.
What is the molecular formula of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C19H14N2O5S.
What is the molecular weight of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 382.06 g/mol.
Where can I buy (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.