1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-
TL;DR: 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- (CAS 61379-06-4) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid
Also Known As: ChemDiv3_014753, IDI1_030551, 6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid, 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-, 2-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXYLIC ACID
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.2032 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 397.55386 |
Chemical Identifiers
| CAS Number | 61379-06-4 |
|---|---|
| SMILES | C1CSC(=C(O1)C2=CC=CC=C2)C(=O)O |
Product Overview
1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- (CAS 61379-06-4), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid.
Chemical Property Profile of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-
Property Insights of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-
The XLogP value of 2.2032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-. With a topological polar surface area (TPSA) of 46.53 Ų, 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- has 1 hydrogen bond donor(s) and 3 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 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-?
The CAS number of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- is 61379-06-4.
What is the molecular formula of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-?
The molecular formula of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- is C11H10O3S.
What is the molecular weight of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-?
The molecular weight of 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- is 222.04 g/mol.
Where can I buy 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-?
You can request a quote for 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.