聚对苯二甲酸环己烷二甲酯
TL;DR: 聚对苯二甲酸环己烷二甲酯 (CAS 25135-20-0) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
聚对苯二甲酸环己烷二甲酯
2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione;hydrochloride
Also Known As: 2-Iodo-4,5-dichloroaniline, 1,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-methyl-, hydrochloride, 2-Methyl-2-(delta-diethylaminobutynyl)indan-1,3-dione hydrochloride, 2-[4-(diethylamino)but-2-yn-1-yl]-2-methyl-1h-indene-1,3(2h)-dione hydrochloride(1:1), 2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione hydrochloride
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 3.229 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 25135-20-0 |
|---|---|
| SMILES | CCN(CC)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C.Cl |
| InChIKey | SDPKUFJAURHESR-UHFFFAOYSA-N |
Product Overview
聚对苯二甲酸环己烷二甲酯 (CAS 25135-20-0), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: 2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione;hydrochloride.
Chemical Property Profile of 聚对苯二甲酸环己烷二甲酯
Property Insights of 聚对苯二甲酸环己烷二甲酯
The XLogP value of 3.229 indicates that 聚对苯二甲酸环己烷二甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 聚对苯二甲酸环己烷二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 聚对苯二甲酸环己烷二甲酯 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 聚对苯二甲酸环己烷二甲酯?
The CAS number of 聚对苯二甲酸环己烷二甲酯 is 25135-20-0.
What is the molecular formula of 聚对苯二甲酸环己烷二甲酯?
The molecular formula of 聚对苯二甲酸环己烷二甲酯 is C18H22ClNO2.
What is the molecular weight of 聚对苯二甲酸环己烷二甲酯?
The molecular weight of 聚对苯二甲酸环己烷二甲酯 is 319.13 g/mol.
Where can I buy 聚对苯二甲酸环己烷二甲酯?
You can request a quote for 聚对苯二甲酸环己烷二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 聚对苯二甲酸环己烷二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 聚对苯二甲酸环己烷二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.