![2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID structure](/static/products/5301/530149-06-5.webp)
2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
TL;DR: 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID (CAS 530149-06-5) is a chemical compound with molecular formula C20H15N3O6S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
Also Known As: 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid, 2-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]thiocarbamoylamino]benzoic Acid, 2-Methyl-3-[[[[[5-(3-nitrophenyl)-2-furanyl ]carbonyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C20H15N3O6S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.98822 |
| Topological Polar Surface Area | 134.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.06815 |
| Heavy Atoms | 30 |
| Complexity | 1170.8534 |
Chemical Identifiers
| CAS Number | 530149-06-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O |
Product Overview
2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID (CAS 530149-06-5), with molecular formula C20H15N3O6S and molecular weight 425.07 g/mol. IUPAC: 2-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
Property Insights of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
The XLogP value of 3.98822 indicates that 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID. Following Lipinski's Rule of Five, 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID has 3 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 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The CAS number of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is 530149-06-5.
What is the molecular formula of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The molecular formula of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is C20H15N3O6S.
What is the molecular weight of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The molecular weight of 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is 425.07 g/mol.
Where can I buy 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
You can request a quote for 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
Yes, KEHONG BIO provides custom synthesis services for 2-METHYL-3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.