1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate
TL;DR: 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate (CAS 67367-75-3) is a chemical compound with molecular formula C28H29NO5 and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-prop-2-ynylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate, Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)-, (Z)-2-butenedioate (1:1), ETHANONE, 1-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-4-YL)-2-((PHENYLMETHYL)-2-PROPYNYLA, benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-prop-2-ynylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084498
| Molecular Formula | C28H29NO5 |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 0.9421 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.20456 |
| Heavy Atoms | 34 |
| Complexity | 1079.4708 |
Chemical Identifiers
| CAS Number | 67367-75-3 |
|---|---|
| SMILES | C#CC[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate (CAS 67367-75-3), with molecular formula C28H29NO5 and molecular weight 459.20 g/mol. IUPAC: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-prop-2-ynylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate
Property Insights of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate
The XLogP value of 0.9421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate. Following Lipinski's Rule of Five, 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate has 2 hydrogen bond donor(s) and 4 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 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate?
The CAS number of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate is 67367-75-3.
What is the molecular formula of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate?
The molecular formula of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate is C28H29NO5.
What is the molecular weight of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate?
The molecular weight of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate is 459.20 g/mol.
Where can I buy 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate?
You can request a quote for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.