2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid
TL;DR: 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid (CAS 77694-30-5) is a chemical compound with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide
Also Known As: o-Chloro-N- benzamide, 2-chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide, o-Chloro-N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)benzamide, BENZAMIDE, o-CHLORO-N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-, 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid
| Molecular Formula | C13H14ClNO3 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.06622 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 77694-30-5 |
|---|---|
| SMILES | CC1(CC(C(=O)O1)NC(=O)C2=CC=CC=C2Cl)C |
| InChIKey | ZDSBOBNPOABMNK-UHFFFAOYSA-N |
Product Overview
2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid (CAS 77694-30-5), with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol. IUPAC: 2-chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide.
Chemical Property Profile of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid
Property Insights of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid has 1 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 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid?
The CAS number of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid is 77694-30-5.
What is the molecular formula of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid?
The molecular formula of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid is C13H14ClNO3.
What is the molecular weight of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid?
The molecular weight of 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid is 267.07 g/mol.
Where can I buy 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid?
You can request a quote for 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.