Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester
TL;DR: Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester (CAS 72152-95-5) is a chemical compound with molecular formula C18H32N2O4 and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethyl N-[[(1R,5S)-5-isocyanato-1,3,3-trimethylcyclohexyl]methyl]carbamate
Also Known As: Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester, Carbamic acid, N-((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester, 2-butoxyethyl N-[[(1R,5S)-5-isocyanato-1,3,3-trimethylcyclohexyl]methyl]carbamate
| Molecular Formula | C18H32N2O4 |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 3.4501 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 340.2362 |
| Heavy Atoms | 24 |
| Complexity | 446.2997 |
Chemical Identifiers
| CAS Number | 72152-95-5 |
|---|---|
| SMILES | CCCCOCCOC(=O)NC[C@]1(C[C@H](CC(C1)(C)C)N=C=O)C |
Product Overview
Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester (CAS 72152-95-5), with molecular formula C18H32N2O4 and molecular weight 340.24 g/mol. IUPAC: 2-butoxyethyl N-[[(1R,5S)-5-isocyanato-1,3,3-trimethylcyclohexyl]methyl]carbamate.
Chemical Property Profile of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester
Property Insights of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester
The XLogP value of 3.4501 indicates that Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester. Following Lipinski's Rule of Five, Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester has 1 hydrogen bond donor(s) and 5 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 Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester?
The CAS number of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester is 72152-95-5.
What is the molecular formula of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester?
The molecular formula of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester is C18H32N2O4.
What is the molecular weight of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester?
The molecular weight of Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester is 340.24 g/mol.
Where can I buy Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester?
You can request a quote for Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl 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, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-butoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.