RefChem:1084595
TL;DR: RefChem:1084595 (CAS 67367-65-1) is a chemical compound with molecular formula C22H29NO5 and molecular weight 387.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 4-(Diethylaminoacetyl)-s-hydrindacene hydrogen maleate, 2-(Diethylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone maleate, Ethanone, 2-(diethylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, (Z)-2-butenedioate (1:1), diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084595
| Molecular Formula | C22H29NO5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | 0.1485 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.20456 |
| Heavy Atoms | 28 |
| Complexity | 729.3721 |
Chemical Identifiers
| CAS Number | 67367-65-1 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)C1=C2CCCC2=CC3=C1CCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1084595 (CAS 67367-65-1), with molecular formula C22H29NO5 and molecular weight 387.20 g/mol. IUPAC: diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1084595
Property Insights of RefChem:1084595
The XLogP value of 0.1485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084595. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084595. Following Lipinski's Rule of Five, RefChem:1084595 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 RefChem:1084595?
The CAS number of RefChem:1084595 is 67367-65-1.
What is the molecular formula of RefChem:1084595?
The molecular formula of RefChem:1084595 is C22H29NO5.
What is the molecular weight of RefChem:1084595?
The molecular weight of RefChem:1084595 is 387.20 g/mol.
Where can I buy RefChem:1084595?
You can request a quote for RefChem:1084595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084595?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.