辛基氨基甲酸4-碘-2-丁炔基酯
TL;DR: 辛基氨基甲酸4-碘-2-丁炔基酯 (CAS 14225-19-5) is a chemical compound with molecular formula C13H22INO2 and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛基氨基甲酸4-碘-2-丁炔基酯
4-iodobut-2-ynyl N-octylcarbamate
Also Known As: 4-Iodo-2-butynyl octylcarbamate, 4-iodobut-2-ynyl N-octylcarbamate, 4-Iodobut-2-yn-1-yl octylcarbamate, CARBAMIC ACID, OCTYL-, 4-IODO-2-BUTYNYL ESTER, N-Octylcarbamic acid 4-iodo-2-butynyl ester
| Molecular Formula | C13H22INO2 |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 351.06952 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 14225-19-5 |
|---|---|
| SMILES | CCCCCCCCNC(=O)OCC#CCI |
| InChIKey | MBNMIHDVVCMOHN-UHFFFAOYSA-N |
Product Overview
辛基氨基甲酸4-碘-2-丁炔基酯 (CAS 14225-19-5), with molecular formula C13H22INO2 and molecular weight 351.07 g/mol. IUPAC: 4-iodobut-2-ynyl N-octylcarbamate.
Chemical Property Profile of 辛基氨基甲酸4-碘-2-丁炔基酯
Property Insights of 辛基氨基甲酸4-碘-2-丁炔基酯
The XLogP value of 4.6 indicates that 辛基氨基甲酸4-碘-2-丁炔基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 辛基氨基甲酸4-碘-2-丁炔基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛基氨基甲酸4-碘-2-丁炔基酯 has 1 hydrogen bond donor(s) and 2 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 辛基氨基甲酸4-碘-2-丁炔基酯?
The CAS number of 辛基氨基甲酸4-碘-2-丁炔基酯 is 14225-19-5.
What is the molecular formula of 辛基氨基甲酸4-碘-2-丁炔基酯?
The molecular formula of 辛基氨基甲酸4-碘-2-丁炔基酯 is C13H22INO2.
What is the molecular weight of 辛基氨基甲酸4-碘-2-丁炔基酯?
The molecular weight of 辛基氨基甲酸4-碘-2-丁炔基酯 is 351.07 g/mol.
Where can I buy 辛基氨基甲酸4-碘-2-丁炔基酯?
You can request a quote for 辛基氨基甲酸4-碘-2-丁炔基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛基氨基甲酸4-碘-2-丁炔基酯?
Yes, KEHONG BIO provides custom synthesis services for 辛基氨基甲酸4-碘-2-丁炔基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.