![3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 structure](/static/products/1100/110046-43-0.webp)
3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸
TL;DR: 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 (CAS 110046-43-0) is a chemical compound with molecular formula C14H11NO5S and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸
4-(benzenesulfinylmethyl)-3-nitrobenzoic acid
Also Known As: 3-nitro-4-[(phenylsulfinyl)methyl]benzoic acid, 3-Nitro-4-((phenylsulfinyl)methyl)benzoic acid, 4-(benzenesulfinylmethyl)-3-nitrobenzoic acid, 4-(benzenesulfinylmethyl)-3-nitro-benzoic acid, Benzoic acid, 3-nitro-4-((phenylsulfinyl)methyl)-
| Molecular Formula | C14H11NO5S |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0358 |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 110046-43-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | OLUMHCPDVGQCAR-UHFFFAOYSA-N |
Product Overview
3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 (CAS 110046-43-0), with molecular formula C14H11NO5S and molecular weight 305.04 g/mol. IUPAC: 4-(benzenesulfinylmethyl)-3-nitrobenzoic acid.
Chemical Property Profile of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸
Property Insights of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸. Following Lipinski's Rule of Five, 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 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-硝基-4-[(苯亚磺酰基)甲基]苯甲酸?
The CAS number of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 is 110046-43-0.
What is the molecular formula of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸?
The molecular formula of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 is C14H11NO5S.
What is the molecular weight of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸?
The molecular weight of 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 is 305.04 g/mol.
Where can I buy 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸?
You can request a quote for 3-硝基-4-[(苯亚磺酰基)甲基]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 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基-4-[(苯亚磺酰基)甲基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.