5-甲氧基-1,3-苯并噁噻吩-2-酮
TL;DR: 5-甲氧基-1,3-苯并噁噻吩-2-酮 (CAS 1483-20-1) is a chemical compound with molecular formula C8H6O3S and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲氧基-1,3-苯并噁噻吩-2-酮
5-methoxy-1,3-benzoxathiol-2-one
Also Known As: ChemDiv2_003062, 5-methoxy-1,3-benzoxathiol-2-one, 1,3-Benzoxathiol-2-one, 5-methoxy-, 5-methoxy-2H-1,3-benzoxathiol-2-one, 5-Methoxy-1,3-benzoxathiole-2-one
| Molecular Formula | C8H6O3S |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.00377 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 1483-20-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=O)S2 |
| InChIKey | IJUFAVNTSBXUCB-UHFFFAOYSA-N |
Product Overview
5-甲氧基-1,3-苯并噁噻吩-2-酮 (CAS 1483-20-1), with molecular formula C8H6O3S and molecular weight 182.00 g/mol. IUPAC: 5-methoxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 5-甲氧基-1,3-苯并噁噻吩-2-酮
Property Insights of 5-甲氧基-1,3-苯并噁噻吩-2-酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲氧基-1,3-苯并噁噻吩-2-酮. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲氧基-1,3-苯并噁噻吩-2-酮. Following Lipinski's Rule of Five, 5-甲氧基-1,3-苯并噁噻吩-2-酮 has 0 hydrogen bond donor(s) and 4 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 5-甲氧基-1,3-苯并噁噻吩-2-酮?
The CAS number of 5-甲氧基-1,3-苯并噁噻吩-2-酮 is 1483-20-1.
What is the molecular formula of 5-甲氧基-1,3-苯并噁噻吩-2-酮?
The molecular formula of 5-甲氧基-1,3-苯并噁噻吩-2-酮 is C8H6O3S.
What is the molecular weight of 5-甲氧基-1,3-苯并噁噻吩-2-酮?
The molecular weight of 5-甲氧基-1,3-苯并噁噻吩-2-酮 is 182.00 g/mol.
Where can I buy 5-甲氧基-1,3-苯并噁噻吩-2-酮?
You can request a quote for 5-甲氧基-1,3-苯并噁噻吩-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲氧基-1,3-苯并噁噻吩-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 5-甲氧基-1,3-苯并噁噻吩-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.