Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate
TL;DR: Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate (CAS 258282-67-6) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl N-methylcarbamate
Also Known As: 6-aminonicotine, Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate, Carbamic acid, methyl-, spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-yl ester, spiro[1,3-benzodioxole-2,1'-cyclohexan]-4-yl methylcarbamate, spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl N-methylcarbamate
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 258282-67-6 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC2=C1OC3(O2)CCCCC3 |
| InChIKey | IYYOBPXUABEUJR-UHFFFAOYSA-N |
Product Overview
Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate (CAS 258282-67-6), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl N-methylcarbamate.
Chemical Property Profile of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate
Property Insights of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate. With a topological polar surface area (TPSA) of 56.8 Ų, Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate has 1 hydrogen bond donor(s) and 4 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 Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate?
The CAS number of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate is 258282-67-6.
What is the molecular formula of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate?
The molecular formula of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate is C14H17NO4.
What is the molecular weight of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate?
The molecular weight of Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate is 263.12 g/mol.
Where can I buy Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate?
You can request a quote for Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.