Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
TL;DR: Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester (CAS 123312-12-9) is a chemical compound with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] N-(1,3-benzodioxol-5-yl)-N-propan-2-ylcarbamate
Also Known As: Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, Cyano(3-phenoxyphenyl)methyl 2H-1,3-benzodioxol-5-yl(propan-2-yl)carbamate, [cyano-(3-phenoxyphenyl)methyl] N-(1,3-benzodioxol-5-yl)-N-propan-2-ylcarbamate
| Molecular Formula | C25H22N2O5 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.15286 |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 123312-12-9 |
|---|---|
| SMILES | CC(C)N(C1=CC2=C(C=C1)OCO2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | HCGDDTCSRFRACN-UHFFFAOYSA-N |
Product Overview
Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester (CAS 123312-12-9), with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-(1,3-benzodioxol-5-yl)-N-propan-2-ylcarbamate.
Chemical Property Profile of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
Property Insights of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
The XLogP value of 5.3 indicates that Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester. Following Lipinski's Rule of Five, Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The CAS number of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is 123312-12-9.
What is the molecular formula of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The molecular formula of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is C25H22N2O5.
What is the molecular weight of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The molecular weight of Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is 430.15 g/mol.
Where can I buy Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
You can request a quote for Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 1,3-benzodioxol-5-yl(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.