英曲替林
TL;DR: 英曲替林 (CAS 27466-27-9) is a chemical compound with molecular formula C21H19N and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
英曲替林
N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)but-2-yn-1-amine
Also Known As: INTRIPTYLINE, Intriptyline [INN], Intriptilina, AY-22124 FREE BASE, 2-Butyn-1-amine,4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-
| Molecular Formula | C21H19N |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.15176 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 27466-27-9 |
|---|---|
| SMILES | CN(C)CC#CC=C1C2=CC=CC=C2C=CC3=CC=CC=C31 |
| InChIKey | OKCODFSHDQKCQN-UHFFFAOYSA-N |
Product Overview
英曲替林 (CAS 27466-27-9), with molecular formula C21H19N and molecular weight 285.15 g/mol. IUPAC: N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)but-2-yn-1-amine.
Chemical Property Profile of 英曲替林
Property Insights of 英曲替林
The XLogP value of 4.5 indicates that 英曲替林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 英曲替林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 英曲替林 has 0 hydrogen bond donor(s) and 1 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 英曲替林?
The CAS number of 英曲替林 is 27466-27-9.
What is the molecular formula of 英曲替林?
The molecular formula of 英曲替林 is C21H19N.
What is the molecular weight of 英曲替林?
The molecular weight of 英曲替林 is 285.15 g/mol.
Where can I buy 英曲替林?
You can request a quote for 英曲替林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 英曲替林?
Yes, KEHONG BIO provides custom synthesis services for 英曲替林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.