EINECS 245-195-5
TL;DR: EINECS 245-195-5 (CAS 22748-58-9) is a chemical compound with molecular formula C21H36O5 and molecular weight 368.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one
Also Known As: 3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one, 3,4-dihydroxy-4-5-2- cyclopent-2-en-1-one, 3,4-dihydroxy-4- -5- -2- cyclopent-2-en-1-one, 3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one, 2-(1-Oxo-3-methylbutyl)-3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-cyclopentene-1-one
| Molecular Formula | C21H36O5 |
|---|---|
| Molecular Weight | 368.26 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.2563 |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 22748-58-9 |
|---|---|
| SMILES | CC(C)CCC1C(=O)C(=C(C1(C(CCC(C)C)O)O)O)C(=O)CC(C)C |
| InChIKey | FUTYYOXQMQKWGM-UHFFFAOYSA-N |
Product Overview
EINECS 245-195-5 (CAS 22748-58-9), with molecular formula C21H36O5 and molecular weight 368.26 g/mol. IUPAC: 3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one.
Chemical Property Profile of EINECS 245-195-5
Property Insights of EINECS 245-195-5
The XLogP value of 4.0 indicates that EINECS 245-195-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 245-195-5. Following Lipinski's Rule of Five, EINECS 245-195-5 has 3 hydrogen bond donor(s) and 5 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 EINECS 245-195-5?
The CAS number of EINECS 245-195-5 is 22748-58-9.
What is the molecular formula of EINECS 245-195-5?
The molecular formula of EINECS 245-195-5 is C21H36O5.
What is the molecular weight of EINECS 245-195-5?
The molecular weight of EINECS 245-195-5 is 368.26 g/mol.
Where can I buy EINECS 245-195-5?
You can request a quote for EINECS 245-195-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 245-195-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 245-195-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.