C20H29NO.C4H4O4.1/2H2O
TL;DR: C20H29NO.C4H4O4.1/2H2O (CAS 67367-67-3) is a chemical compound with molecular formula C24H33NO5 and molecular weight 415.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-dipropylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: C20H29NO.C4H4O4.1/2H2O, C20-H29-N-O.C4-H4-O4.1/2H2-O, Ethanone, 2-(dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, (Z)-2-butenedioate, hydrate (2:2:1), 2-(Dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone maleate hemihydrate, [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-dipropylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C24H33NO5 |
|---|---|
| Molecular Weight | 415.24 g/mol |
| LogP | 0.9287 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.23587 |
| Heavy Atoms | 30 |
| Complexity | 758.05457 |
Chemical Identifiers
| CAS Number | 67367-67-3 |
|---|---|
| SMILES | CCC[NH+](CCC)CC(=O)C1=C2CCCC2=CC3=C1CCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
C20H29NO.C4H4O4.1/2H2O (CAS 67367-67-3), with molecular formula C24H33NO5 and molecular weight 415.24 g/mol. IUPAC: [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-dipropylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of C20H29NO.C4H4O4.1/2H2O
Property Insights of C20H29NO.C4H4O4.1/2H2O
The XLogP value of 0.9287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H29NO.C4H4O4.1/2H2O. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H29NO.C4H4O4.1/2H2O. Following Lipinski's Rule of Five, C20H29NO.C4H4O4.1/2H2O 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 C20H29NO.C4H4O4.1/2H2O?
The CAS number of C20H29NO.C4H4O4.1/2H2O is 67367-67-3.
What is the molecular formula of C20H29NO.C4H4O4.1/2H2O?
The molecular formula of C20H29NO.C4H4O4.1/2H2O is C24H33NO5.
What is the molecular weight of C20H29NO.C4H4O4.1/2H2O?
The molecular weight of C20H29NO.C4H4O4.1/2H2O is 415.24 g/mol.
Where can I buy C20H29NO.C4H4O4.1/2H2O?
You can request a quote for C20H29NO.C4H4O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H29NO.C4H4O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H29NO.C4H4O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.