3-(Thiomorpholinosulfonyl)benzoic acid
TL;DR: 3-(Thiomorpholinosulfonyl)benzoic acid (CAS 799262-54-7) is a chemical compound with molecular formula C11H13NO4S2 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiomorpholin-4-ylsulfonylbenzoic acid
Also Known As: 3-(Thiomorpholinosulfonyl)benzoic acid, 3-(thiomorpholine-4-sulfonyl)benzoic acid, 3-thiomorpholin-4-ylsulfonylbenzoic acid, BAS 07022209, 3-thiomorpholinosulfonylbenzoic acid
| Molecular Formula | C11H13NO4S2 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0286 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 799262-54-7 |
|---|---|
| SMILES | C1CSCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O |
| InChIKey | PAVPSZDSRMCTTA-UHFFFAOYSA-N |
Product Overview
3-(Thiomorpholinosulfonyl)benzoic acid (CAS 799262-54-7), with molecular formula C11H13NO4S2 and molecular weight 287.03 g/mol. IUPAC: 3-thiomorpholin-4-ylsulfonylbenzoic acid.
Chemical Property Profile of 3-(Thiomorpholinosulfonyl)benzoic acid
Property Insights of 3-(Thiomorpholinosulfonyl)benzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Thiomorpholinosulfonyl)benzoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Thiomorpholinosulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Thiomorpholinosulfonyl)benzoic acid has 1 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 3-(Thiomorpholinosulfonyl)benzoic acid?
The CAS number of 3-(Thiomorpholinosulfonyl)benzoic acid is 799262-54-7.
What is the molecular formula of 3-(Thiomorpholinosulfonyl)benzoic acid?
The molecular formula of 3-(Thiomorpholinosulfonyl)benzoic acid is C11H13NO4S2.
What is the molecular weight of 3-(Thiomorpholinosulfonyl)benzoic acid?
The molecular weight of 3-(Thiomorpholinosulfonyl)benzoic acid is 287.03 g/mol.
Where can I buy 3-(Thiomorpholinosulfonyl)benzoic acid?
You can request a quote for 3-(Thiomorpholinosulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Thiomorpholinosulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Thiomorpholinosulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.