3-乙酰氨基-2,5-二甲基苯甲酸
TL;DR: 3-乙酰氨基-2,5-二甲基苯甲酸 (CAS 73698-70-1) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰氨基-2,5-二甲基苯甲酸
3-acetamido-2,5-dimethylbenzoic acid
Also Known As: 3-Acetamido-2,5-dimethylbenzoic acid, 3-Acetamido-2,5-xylic acid, Benzoic acid,5-dimethyl-, NCIOpen2_004792, 2,5-Dimethyl-3-acetamidobenzoic acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 73698-70-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)NC(=O)C)C)C(=O)O |
| InChIKey | LIDGACFIPCDVKN-UHFFFAOYSA-N |
Product Overview
3-乙酰氨基-2,5-二甲基苯甲酸 (CAS 73698-70-1), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-acetamido-2,5-dimethylbenzoic acid.
Chemical Property Profile of 3-乙酰氨基-2,5-二甲基苯甲酸
Property Insights of 3-乙酰氨基-2,5-二甲基苯甲酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰氨基-2,5-二甲基苯甲酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-乙酰氨基-2,5-二甲基苯甲酸. Following Lipinski's Rule of Five, 3-乙酰氨基-2,5-二甲基苯甲酸 has 2 hydrogen bond donor(s) and 3 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-乙酰氨基-2,5-二甲基苯甲酸?
The CAS number of 3-乙酰氨基-2,5-二甲基苯甲酸 is 73698-70-1.
What is the molecular formula of 3-乙酰氨基-2,5-二甲基苯甲酸?
The molecular formula of 3-乙酰氨基-2,5-二甲基苯甲酸 is C11H13NO3.
What is the molecular weight of 3-乙酰氨基-2,5-二甲基苯甲酸?
The molecular weight of 3-乙酰氨基-2,5-二甲基苯甲酸 is 207.09 g/mol.
Where can I buy 3-乙酰氨基-2,5-二甲基苯甲酸?
You can request a quote for 3-乙酰氨基-2,5-二甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰氨基-2,5-二甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰氨基-2,5-二甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.