Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- structure

Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-

TL;DR: Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- (CAS 352686-46-5) is a chemical compound with molecular formula C15H17NO5 and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexane-1-carboxylic acid

Also Known As: 2-(benzo[d][1,3]dioxol-5-ylcarbamoyl)cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]cyclohexanecarboxylic acid, 2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexanecarboxylic acid, cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-, 2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexane-1-carboxylic acid

CAS: 352686-46-5
Molecular Formula C15H17NO5
Molecular Weight 291.11 g/mol
LogP 2.2448
Topological Polar Surface Area 84.86 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 291.1107
Heavy Atoms 21
Complexity 571.18243

Chemical Identifiers

CAS Number 352686-46-5
SMILES C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O

Product Overview

Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- (CAS 352686-46-5), with molecular formula C15H17NO5 and molecular weight 291.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexane-1-carboxylic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-

XLogP
2.2448
TPSA (Topological Polar Surface Area)
84.86
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
21
Complexity
571.18243
Exact Mass
291.1107
Monoisotopic Mass
291.1107
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-

The XLogP value of 2.2448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-?

The CAS number of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- is 352686-46-5.

What is the molecular formula of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-?

The molecular formula of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- is C15H17NO5.

What is the molecular weight of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-?

The molecular weight of Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- is 291.11 g/mol.

Where can I buy Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-?

You can request a quote for Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]-?

Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 2-[(1,3-benzodioxol-5-ylamino)carbonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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