2-壬炔酸丁酯
TL;DR: 2-壬炔酸丁酯 (CAS 18659-45-5) is a chemical compound with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-壬炔酸丁酯
[2-(dimethylamino)-3-methyl-6-propan-2-ylphenyl] N-methylcarbamate
Also Known As: Fisons NC-1493, 2-Nonynoic acid, butyl ester, CARBAMIC ACID, METHYL-, 6-(DIMETHYLAMINO)THYMYL ESTER, 6-Dimethylamino-3-methylcarbamoyloxy-p-cymol, [2-(dimethylamino)-3-methyl-6-propan-2-ylphenyl] N-methylcarbamate
| Molecular Formula | C14H22N2O2 |
|---|---|
| Molecular Weight | 250.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.16812 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 18659-45-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OC(=O)NC)N(C)C |
| InChIKey | BVSKMTSQXJSFKQ-UHFFFAOYSA-N |
Product Overview
2-壬炔酸丁酯 (CAS 18659-45-5), with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol. IUPAC: [2-(dimethylamino)-3-methyl-6-propan-2-ylphenyl] N-methylcarbamate.
Chemical Property Profile of 2-壬炔酸丁酯
Property Insights of 2-壬炔酸丁酯
The XLogP value of 3.1 indicates that 2-壬炔酸丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 2-壬炔酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-壬炔酸丁酯 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 2-壬炔酸丁酯?
The CAS number of 2-壬炔酸丁酯 is 18659-45-5.
What is the molecular formula of 2-壬炔酸丁酯?
The molecular formula of 2-壬炔酸丁酯 is C14H22N2O2.
What is the molecular weight of 2-壬炔酸丁酯?
The molecular weight of 2-壬炔酸丁酯 is 250.17 g/mol.
Where can I buy 2-壬炔酸丁酯?
You can request a quote for 2-壬炔酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-壬炔酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 2-壬炔酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.