N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide (CAS 714261-74-2) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexane-1-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide, AS-871/42873208, N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexane-1-carboxamide
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 4.0281 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 535.4163 |
Chemical Identifiers
| CAS Number | 714261-74-2 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide (CAS 714261-74-2), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexane-1-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide
The XLogP value of 4.0281 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide 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 N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide is 714261-74-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide is C19H27NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide is 317.20 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.