ChemDiv3_012582
TL;DR: ChemDiv3_012582 (CAS 689228-20-4) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoic acid
Also Known As: ChemDiv3_012582, F0918-6905, 4-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanoic acid, 4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoic acid, 4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanoic acid
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 1.65259 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 838.7961 |
Chemical Identifiers
| CAS Number | 689228-20-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)O |
Product Overview
ChemDiv3_012582 (CAS 689228-20-4), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: 4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoic acid.
Chemical Property Profile of ChemDiv3_012582
Property Insights of ChemDiv3_012582
The XLogP value of 1.65259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012582. The TPSA of 93.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012582. Following Lipinski's Rule of Five, ChemDiv3_012582 has 2 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 ChemDiv3_012582?
The CAS number of ChemDiv3_012582 is 689228-20-4.
What is the molecular formula of ChemDiv3_012582?
The molecular formula of ChemDiv3_012582 is C13H12N2O5S.
What is the molecular weight of ChemDiv3_012582?
The molecular weight of ChemDiv3_012582 is 308.05 g/mol.
Where can I buy ChemDiv3_012582?
You can request a quote for ChemDiv3_012582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012582?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.