3-硝基-2-丙-2-基氧基苯甲酸
TL;DR: 3-硝基-2-丙-2-基氧基苯甲酸 (CAS 81957-22-4) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基-2-丙-2-基氧基苯甲酸
3-nitro-2-propan-2-yloxybenzoic acid
Also Known As: 3-nitro-2-(propan-2-yloxy)benzoic acid, 3-nitro-2-propan-2-yloxybenzoic acid, Benzoic acid,2-(1-methylethoxy)-3-nitro-, 2-isopropoxy-3-nitrobenzoic acid, 2-isopropoxy-3-nitro-benzoic acid
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 81957-22-4 |
|---|---|
| SMILES | CC(C)OC1=C(C=CC=C1[N+](=O)[O-])C(=O)O |
| InChIKey | IVVRRWKNAJCNEZ-UHFFFAOYSA-N |
Product Overview
3-硝基-2-丙-2-基氧基苯甲酸 (CAS 81957-22-4), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: 3-nitro-2-propan-2-yloxybenzoic acid.
Chemical Property Profile of 3-硝基-2-丙-2-基氧基苯甲酸
Property Insights of 3-硝基-2-丙-2-基氧基苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基-2-丙-2-基氧基苯甲酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基-2-丙-2-基氧基苯甲酸. Following Lipinski's Rule of Five, 3-硝基-2-丙-2-基氧基苯甲酸 has 1 hydrogen bond donor(s) and 5 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-2-丙-2-基氧基苯甲酸?
The CAS number of 3-硝基-2-丙-2-基氧基苯甲酸 is 81957-22-4.
What is the molecular formula of 3-硝基-2-丙-2-基氧基苯甲酸?
The molecular formula of 3-硝基-2-丙-2-基氧基苯甲酸 is C10H11NO5.
What is the molecular weight of 3-硝基-2-丙-2-基氧基苯甲酸?
The molecular weight of 3-硝基-2-丙-2-基氧基苯甲酸 is 225.06 g/mol.
Where can I buy 3-硝基-2-丙-2-基氧基苯甲酸?
You can request a quote for 3-硝基-2-丙-2-基氧基苯甲酸 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-2-丙-2-基氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基-2-丙-2-基氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.