2-((羧甲基)磺酰基)苯甲酸
TL;DR: 2-((羧甲基)磺酰基)苯甲酸 (CAS 1209-81-0) is a chemical compound with molecular formula C9H8O6S and molecular weight 244.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-((羧甲基)磺酰基)苯甲酸
2-(carboxymethylsulfonyl)benzoic acid
Also Known As: 2-[(carboxymethyl)sulfonyl]benzoic acid, CBKinase1_000565, CBKinase1_012965, 2-(carboxymethylsulfonyl)benzoic acid, 2-((Carboxymethyl)sulphonyl)benzoic acid
| Molecular Formula | C9H8O6S |
|---|---|
| Molecular Weight | 244.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.00417 |
| Heavy Atoms | 16 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 1209-81-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC(=O)O |
| InChIKey | STPWPICGADJXAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((羧甲基)磺酰基)苯甲酸 (CAS 1209-81-0), with molecular formula C9H8O6S and molecular weight 244.00 g/mol. IUPAC: 2-(carboxymethylsulfonyl)benzoic acid.
Chemical Property Profile of 2-((羧甲基)磺酰基)苯甲酸
Property Insights of 2-((羧甲基)磺酰基)苯甲酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((羧甲基)磺酰基)苯甲酸. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((羧甲基)磺酰基)苯甲酸. Following Lipinski's Rule of Five, 2-((羧甲基)磺酰基)苯甲酸 has 2 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 2-((羧甲基)磺酰基)苯甲酸?
The CAS number of 2-((羧甲基)磺酰基)苯甲酸 is 1209-81-0.
What is the molecular formula of 2-((羧甲基)磺酰基)苯甲酸?
The molecular formula of 2-((羧甲基)磺酰基)苯甲酸 is C9H8O6S.
What is the molecular weight of 2-((羧甲基)磺酰基)苯甲酸?
The molecular weight of 2-((羧甲基)磺酰基)苯甲酸 is 244.00 g/mol.
Where can I buy 2-((羧甲基)磺酰基)苯甲酸?
You can request a quote for 2-((羧甲基)磺酰基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((羧甲基)磺酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((羧甲基)磺酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.