4-甲氧羰基苯硼酸
TL;DR: 4-甲氧羰基苯硼酸 (CAS 99768-12-4) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧羰基苯硼酸
7-methoxy-3-methyl-1H-indole-2-carboxylic acid
Also Known As: 7-Methoxy-3-methyl-1H-indole-2-carboxylic acid, CC-PMLSC-PW-wdp2124, 4-Methoxycarbonylphenylboronic acid, BAS 05594133, 7-methoxy-3-methylindole-2-carboxylic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 99768-12-4 |
|---|---|
| SMILES | CC1=C(NC2=C1C=CC=C2OC)C(=O)O |
| InChIKey | SNDRJHVKDDIAPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧羰基苯硼酸 (CAS 99768-12-4), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 7-methoxy-3-methyl-1H-indole-2-carboxylic acid.
Chemical Property Profile of 4-甲氧羰基苯硼酸
Property Insights of 4-甲氧羰基苯硼酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧羰基苯硼酸. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧羰基苯硼酸. Following Lipinski's Rule of Five, 4-甲氧羰基苯硼酸 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 4-甲氧羰基苯硼酸?
The CAS number of 4-甲氧羰基苯硼酸 is 99768-12-4.
What is the molecular formula of 4-甲氧羰基苯硼酸?
The molecular formula of 4-甲氧羰基苯硼酸 is C11H11NO3.
What is the molecular weight of 4-甲氧羰基苯硼酸?
The molecular weight of 4-甲氧羰基苯硼酸 is 205.07 g/mol.
Where can I buy 4-甲氧羰基苯硼酸?
You can request a quote for 4-甲氧羰基苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧羰基苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧羰基苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.