![Coumarin, 4-methyl-7-[(sulfomethyl)amino]- structure](/static/products/2919/29197-94-2.webp)
Coumarin, 4-methyl-7-[(sulfomethyl)amino]-
TL;DR: Coumarin, 4-methyl-7-[(sulfomethyl)amino]- (CAS 29197-94-2) is a chemical compound with molecular formula C11H11NO5S and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-methyl-2-oxochromen-7-yl)amino]methanesulfonic acid
Also Known As: Coumarin 175, 7-[(Sulfomethyl)amino]-4-methyl coumarin-, Coumarin, 4-methyl-7-[(sulfomethyl)amino]-, {7-[(Sulfomethyl)amino]-4-methyl} coumarin sodium salt, [(4-methyl-2-oxochromen-7-yl)amino]methanesulfonic acid
| Molecular Formula | C11H11NO5S |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0358 |
| Heavy Atoms | 18 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 29197-94-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NCS(=O)(=O)O |
| InChIKey | URKFUZQRENRKCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin, 4-methyl-7-[(sulfomethyl)amino]- (CAS 29197-94-2), with molecular formula C11H11NO5S and molecular weight 269.04 g/mol. IUPAC: [(4-methyl-2-oxochromen-7-yl)amino]methanesulfonic acid.
Chemical Property Profile of Coumarin, 4-methyl-7-[(sulfomethyl)amino]-
Property Insights of Coumarin, 4-methyl-7-[(sulfomethyl)amino]-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 4-methyl-7-[(sulfomethyl)amino]-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 4-methyl-7-[(sulfomethyl)amino]-. Following Lipinski's Rule of Five, Coumarin, 4-methyl-7-[(sulfomethyl)amino]- has 2 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 Coumarin, 4-methyl-7-[(sulfomethyl)amino]-?
The CAS number of Coumarin, 4-methyl-7-[(sulfomethyl)amino]- is 29197-94-2.
What is the molecular formula of Coumarin, 4-methyl-7-[(sulfomethyl)amino]-?
The molecular formula of Coumarin, 4-methyl-7-[(sulfomethyl)amino]- is C11H11NO5S.
What is the molecular weight of Coumarin, 4-methyl-7-[(sulfomethyl)amino]-?
The molecular weight of Coumarin, 4-methyl-7-[(sulfomethyl)amino]- is 269.04 g/mol.
Where can I buy Coumarin, 4-methyl-7-[(sulfomethyl)amino]-?
You can request a quote for Coumarin, 4-methyl-7-[(sulfomethyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4-methyl-7-[(sulfomethyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4-methyl-7-[(sulfomethyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.