KST-1B4784
TL;DR: KST-1B4784 (CAS 5219-76-1) is a chemical compound with molecular formula C19H31NO2 and molecular weight 305.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
Also Known As: KST-1B4784, 1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol, (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol, Bicyclo[3.3.1]nonane-1,5-dicarboxylic acid,2,6-dioxo-,dimethyl ester, 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
| Molecular Formula | C19H31NO2 |
|---|---|
| Molecular Weight | 305.24 g/mol |
| LogP | 4.4176 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.23547 |
| Heavy Atoms | 22 |
| Complexity | 521.5533 |
Chemical Identifiers
| CAS Number | 5219-76-1 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(C)(CC2=NC(CO2)(C)C)O |
Product Overview
KST-1B4784 (CAS 5219-76-1), with molecular formula C19H31NO2 and molecular weight 305.24 g/mol. IUPAC: (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol.
Chemical Property Profile of KST-1B4784
Property Insights of KST-1B4784
The XLogP value of 4.4176 indicates that KST-1B4784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, KST-1B4784 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B4784 has 1 hydrogen bond donor(s) and 3 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 KST-1B4784?
The CAS number of KST-1B4784 is 5219-76-1.
What is the molecular formula of KST-1B4784?
The molecular formula of KST-1B4784 is C19H31NO2.
What is the molecular weight of KST-1B4784?
The molecular weight of KST-1B4784 is 305.24 g/mol.
Where can I buy KST-1B4784?
You can request a quote for KST-1B4784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B4784?
Yes, KEHONG BIO provides custom synthesis services for KST-1B4784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.