Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate
TL;DR: Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate (CAS 335208-97-4) is a chemical compound with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(furan-2-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate
Also Known As: BAS 02722465, dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate, 5-[3-(Furan-2-carbonyl)-thioureido]-isophthalic acid dimethyl ester, dimethyl 5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzene-1,3-dicarboxylate, methyl 5-{[(2-furylcarbonylamino)thioxomethyl]amino}-3-(methoxycarbonyl)benzoa te
| Molecular Formula | C16H14N2O6S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 1.9796 |
| Topological Polar Surface Area | 106.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.05725 |
| Heavy Atoms | 25 |
| Complexity | 781.78735 |
Chemical Identifiers
| CAS Number | 335208-97-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CO2)C(=O)OC |
Product Overview
Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate (CAS 335208-97-4), with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol. IUPAC: dimethyl 5-(furan-2-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate
Property Insights of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate
The XLogP value of 1.9796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate. The TPSA of 106.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate has 2 hydrogen bond donor(s) and 7 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 Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate?
The CAS number of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate is 335208-97-4.
What is the molecular formula of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate?
The molecular formula of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate is C16H14N2O6S.
What is the molecular weight of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate?
The molecular weight of Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate is 362.06 g/mol.
Where can I buy Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate?
You can request a quote for Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(3-(furan-2-carbonyl)thioureido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.