7-氨基香豆素-4-甲磺酸
TL;DR: 7-氨基香豆素-4-甲磺酸 (CAS 120402-76-8) is a chemical compound with molecular formula C10H9NO5S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-氨基香豆素-4-甲磺酸
(7-amino-2-oxochromen-4-yl)methanesulfonic acid
Also Known As: 7-Acms, 7-Aminocoumarin-4-methanesulfonic acid, (7-amino-2-oxochromen-4-yl)methanesulfonic acid, (7-Amino-2-oxo-2H-chromen-4-yl)methanesulfonic acid, J1.357.318B
| Molecular Formula | C10H9NO5S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02014 |
| Heavy Atoms | 17 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 120402-76-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)OC(=O)C=C2CS(=O)(=O)O |
| InChIKey | MBVZHZLNTHHHLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-氨基香豆素-4-甲磺酸 (CAS 120402-76-8), with molecular formula C10H9NO5S and molecular weight 255.02 g/mol. IUPAC: (7-amino-2-oxochromen-4-yl)methanesulfonic acid.
Chemical Property Profile of 7-氨基香豆素-4-甲磺酸
Property Insights of 7-氨基香豆素-4-甲磺酸
The XLogP value of -0.1 indicates that 7-氨基香豆素-4-甲磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-氨基香豆素-4-甲磺酸. Following Lipinski's Rule of Five, 7-氨基香豆素-4-甲磺酸 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 7-氨基香豆素-4-甲磺酸?
The CAS number of 7-氨基香豆素-4-甲磺酸 is 120402-76-8.
What is the molecular formula of 7-氨基香豆素-4-甲磺酸?
The molecular formula of 7-氨基香豆素-4-甲磺酸 is C10H9NO5S.
What is the molecular weight of 7-氨基香豆素-4-甲磺酸?
The molecular weight of 7-氨基香豆素-4-甲磺酸 is 255.02 g/mol.
Where can I buy 7-氨基香豆素-4-甲磺酸?
You can request a quote for 7-氨基香豆素-4-甲磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氨基香豆素-4-甲磺酸?
Yes, KEHONG BIO provides custom synthesis services for 7-氨基香豆素-4-甲磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.