4-氧代-4H-1-苯并吡喃-3-亚磺酸
TL;DR: 4-氧代-4H-1-苯并吡喃-3-亚磺酸 (CAS 84200-61-3) is a chemical compound with molecular formula C9H6O4S and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-4H-1-苯并吡喃-3-亚磺酸
4-oxochromene-3-sulfinic acid
Also Known As: 4-oxochromene-3-sulfinic acid, 4H-1-Benzopyran-3-sulfinic acid, 4-oxo-, 4H-1-Benzopyran-3-sulfinicacid,4-oxo, 4-Oxo-4H-1-benzopyran-3-sulfinic acid, 4H-1-Benzopyran-3-sulfinicacid, 4-oxo-
| Molecular Formula | C9H6O4S |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.99867 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 84200-61-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)S(=O)O |
| InChIKey | QLTCJGKNMQJJNI-UHFFFAOYSA-N |
Product Overview
4-氧代-4H-1-苯并吡喃-3-亚磺酸 (CAS 84200-61-3), with molecular formula C9H6O4S and molecular weight 210.00 g/mol. IUPAC: 4-oxochromene-3-sulfinic acid.
Chemical Property Profile of 4-氧代-4H-1-苯并吡喃-3-亚磺酸
Property Insights of 4-氧代-4H-1-苯并吡喃-3-亚磺酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代-4H-1-苯并吡喃-3-亚磺酸. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代-4H-1-苯并吡喃-3-亚磺酸. Following Lipinski's Rule of Five, 4-氧代-4H-1-苯并吡喃-3-亚磺酸 has 1 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 4-氧代-4H-1-苯并吡喃-3-亚磺酸?
The CAS number of 4-氧代-4H-1-苯并吡喃-3-亚磺酸 is 84200-61-3.
What is the molecular formula of 4-氧代-4H-1-苯并吡喃-3-亚磺酸?
The molecular formula of 4-氧代-4H-1-苯并吡喃-3-亚磺酸 is C9H6O4S.
What is the molecular weight of 4-氧代-4H-1-苯并吡喃-3-亚磺酸?
The molecular weight of 4-氧代-4H-1-苯并吡喃-3-亚磺酸 is 210.00 g/mol.
Where can I buy 4-氧代-4H-1-苯并吡喃-3-亚磺酸?
You can request a quote for 4-氧代-4H-1-苯并吡喃-3-亚磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代-4H-1-苯并吡喃-3-亚磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-4H-1-苯并吡喃-3-亚磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.