C24H29NO.C4H4O4.1/2H2O
TL;DR: C24H29NO.C4H4O4.1/2H2O (CAS 67367-73-1) is a chemical compound with molecular formula C28H33NO5 and molecular weight 463.24 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]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: C24H29NO.C4H4O4.1/2H2O, C24-H29-N-O.C4-H4-O4.1/2H2-O, 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(benzylisopropylamino)ethanone maleate hemihydrate, Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate (2:2:1), ETHANONE, 1-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-4-YL)-2-((1-METHYLETHYL)(PHENYLMETH
| Molecular Formula | C28H33NO5 |
|---|---|
| Molecular Weight | 463.24 g/mol |
| LogP | 1.7173 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.23587 |
| Heavy Atoms | 34 |
| Complexity | 1023.6992 |
Chemical Identifiers
| CAS Number | 67367-73-1 |
|---|---|
| SMILES | CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
C24H29NO.C4H4O4.1/2H2O (CAS 67367-73-1), with molecular formula C28H33NO5 and molecular weight 463.24 g/mol. IUPAC: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of C24H29NO.C4H4O4.1/2H2O
Property Insights of C24H29NO.C4H4O4.1/2H2O
The XLogP value of 1.7173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C24H29NO.C4H4O4.1/2H2O. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for C24H29NO.C4H4O4.1/2H2O. Following Lipinski's Rule of Five, C24H29NO.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 C24H29NO.C4H4O4.1/2H2O?
The CAS number of C24H29NO.C4H4O4.1/2H2O is 67367-73-1.
What is the molecular formula of C24H29NO.C4H4O4.1/2H2O?
The molecular formula of C24H29NO.C4H4O4.1/2H2O is C28H33NO5.
What is the molecular weight of C24H29NO.C4H4O4.1/2H2O?
The molecular weight of C24H29NO.C4H4O4.1/2H2O is 463.24 g/mol.
Where can I buy C24H29NO.C4H4O4.1/2H2O?
You can request a quote for C24H29NO.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 C24H29NO.C4H4O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C24H29NO.C4H4O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.