2-甲基-5-苯并噁唑磺酸
TL;DR: 2-甲基-5-苯并噁唑磺酸 (CAS 6764-43-8) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-5-苯并噁唑磺酸
2-methyl-1,3-benzoxazole-5-sulfonic acid
Also Known As: 5-Benzoxazolesulfonic acid, 2-methyl-, 2-Methylbenzoxazole-5-sulphonic acid, 2-methyl-1,3-benzoxazole-5-sulfonic acid, 2-methylbenzo[d]oxazole-5-sulfonic acid, 2-methylbenzoxazole-5-sulphonicacid
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 6764-43-8 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)O |
| InChIKey | GXGKTKGTVRUVMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-5-苯并噁唑磺酸 (CAS 6764-43-8), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: 2-methyl-1,3-benzoxazole-5-sulfonic acid.
Chemical Property Profile of 2-甲基-5-苯并噁唑磺酸
Property Insights of 2-甲基-5-苯并噁唑磺酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-5-苯并噁唑磺酸. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-5-苯并噁唑磺酸. Following Lipinski's Rule of Five, 2-甲基-5-苯并噁唑磺酸 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 2-甲基-5-苯并噁唑磺酸?
The CAS number of 2-甲基-5-苯并噁唑磺酸 is 6764-43-8.
What is the molecular formula of 2-甲基-5-苯并噁唑磺酸?
The molecular formula of 2-甲基-5-苯并噁唑磺酸 is C8H7NO4S.
What is the molecular weight of 2-甲基-5-苯并噁唑磺酸?
The molecular weight of 2-甲基-5-苯并噁唑磺酸 is 213.01 g/mol.
Where can I buy 2-甲基-5-苯并噁唑磺酸?
You can request a quote for 2-甲基-5-苯并噁唑磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-5-苯并噁唑磺酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-5-苯并噁唑磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.