庚-1-炔-1-基甲基碳酸酯
TL;DR: 庚-1-炔-1-基甲基碳酸酯 (CAS 97952-37-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚-1-炔-1-基甲基碳酸酯
hept-1-ynyl methyl carbonate
Also Known As: Hept-1-yn-1-yl methyl carbonate, Cyclopentyl acetylene, hept-1-ynyl methyl carbonate, Carbonic acid, heptynyl methyl ester, Carbonic acid 1-heptynylmethyl ester
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 97952-37-9 |
|---|---|
| SMILES | CCCCCC#COC(=O)OC |
| InChIKey | PZHVEPZVKDFQRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚-1-炔-1-基甲基碳酸酯 (CAS 97952-37-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: hept-1-ynyl methyl carbonate.
Chemical Property Profile of 庚-1-炔-1-基甲基碳酸酯
Property Insights of 庚-1-炔-1-基甲基碳酸酯
The XLogP value of 3.5 indicates that 庚-1-炔-1-基甲基碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 庚-1-炔-1-基甲基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚-1-炔-1-基甲基碳酸酯 has 0 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 庚-1-炔-1-基甲基碳酸酯?
The CAS number of 庚-1-炔-1-基甲基碳酸酯 is 97952-37-9.
What is the molecular formula of 庚-1-炔-1-基甲基碳酸酯?
The molecular formula of 庚-1-炔-1-基甲基碳酸酯 is C9H14O3.
What is the molecular weight of 庚-1-炔-1-基甲基碳酸酯?
The molecular weight of 庚-1-炔-1-基甲基碳酸酯 is 170.09 g/mol.
Where can I buy 庚-1-炔-1-基甲基碳酸酯?
You can request a quote for 庚-1-炔-1-基甲基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚-1-炔-1-基甲基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 庚-1-炔-1-基甲基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.