CDRI-97/78
TL;DR: CDRI-97/78 (CAS 372960-05-9) is a chemical compound with molecular formula C28H36O8 and molecular weight 500.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-methyl-2-[4-(1-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylethenyl)phenoxy]propoxy]-4-oxobutanoic acid
Also Known As: CDRI-97/78, EX-A8444, 4-[2-methyl-2-[4-(1-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylethenyl)phenoxy]propoxy]-4-oxobutanoic acid
| Molecular Formula | C28H36O8 |
|---|---|
| Molecular Weight | 500.24 g/mol |
| LogP | 4.7646 |
| Topological Polar Surface Area | 100.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.24103 |
| Heavy Atoms | 36 |
| Complexity | 959.307 |
Chemical Identifiers
| CAS Number | 372960-05-9 |
|---|---|
| SMILES | CC(C)(COC(=O)CCC(=O)O)OC1=CC=C(C=C1)C(=C)C2COC3(C4CC5CC(C4)CC3C5)OO2 |
Product Overview
CDRI-97/78 (CAS 372960-05-9), with molecular formula C28H36O8 and molecular weight 500.24 g/mol. IUPAC: 4-[2-methyl-2-[4-(1-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylethenyl)phenoxy]propoxy]-4-oxobutanoic acid.
Chemical Property Profile of CDRI-97/78
Property Insights of CDRI-97/78
The XLogP value of 4.7646 indicates that CDRI-97/78 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.52 Ų falls within the moderate polarity range, balancing permeability and solubility for CDRI-97/78. Following Lipinski's Rule of Five, CDRI-97/78 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDRI-97/78?
The CAS number of CDRI-97/78 is 372960-05-9.
What is the molecular formula of CDRI-97/78?
The molecular formula of CDRI-97/78 is C28H36O8.
What is the molecular weight of CDRI-97/78?
The molecular weight of CDRI-97/78 is 500.24 g/mol.
Where can I buy CDRI-97/78?
You can request a quote for CDRI-97/78 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDRI-97/78?
Yes, KEHONG BIO provides custom synthesis services for CDRI-97/78 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.