![2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 structure](/static/products/988/98808-51-6.png)
2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸
TL;DR: 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 (CAS 98808-51-6) is a chemical compound with molecular formula C14H11BrO3S and molecular weight 337.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸
2-[(4-bromophenyl)methylsulfinyl]benzoic acid
Also Known As: 2-[(4-bromobenzyl)sulfinyl]benzoic acid, 2-[[(4-Bromophenyl)methyl]sulfinyl]benzoic acid, 2-[(4-bromophenyl)methylsulfinyl]benzoic acid, 2-[(4-Bromophenyl)methanesulfinyl]benzoic acid
| Molecular Formula | C14H11BrO3S |
|---|---|
| Molecular Weight | 337.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.96124 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 98808-51-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)S(=O)CC2=CC=C(C=C2)Br |
| InChIKey | XWPQKVUKUDQUFS-UHFFFAOYSA-N |
Product Overview
2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 (CAS 98808-51-6), with molecular formula C14H11BrO3S and molecular weight 337.96 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfinyl]benzoic acid.
Chemical Property Profile of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸
Property Insights of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸. Following Lipinski's Rule of Five, 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 has 1 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 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸?
The CAS number of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 is 98808-51-6.
What is the molecular formula of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸?
The molecular formula of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 is C14H11BrO3S.
What is the molecular weight of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸?
The molecular weight of 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 is 337.96 g/mol.
Where can I buy 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸?
You can request a quote for 2-[[(4-溴苯基)甲基]亚磺酰基]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-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(4-溴苯基)甲基]亚磺酰基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.