RefChem:500758
TL;DR: RefChem:500758 (CAS 68892-29-5) is a chemical compound with molecular formula C33H40O4 and molecular weight 500.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[4-(3,4-dimethylcyclohex-3-ene-1-carbonyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylcyclohex-3-ene-1-carboxylate
Also Known As: Bisphenol A, bis(3,4-dimethylcyclohex-3-ene-1-carboxylate), 3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, (1-methylethylidene)di-4,1-phenylene ester, propane-2,2-diyldibenzene-4,1-diyl bis(3,4-dimethylcyclohex-3-ene-1-carboxylate), 3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, 1,1'-((1-methylethylidene)di-4,1-phenylene) ester, Bis(3,4-dimethyl-3-cyclohexene-1-carboxylic acid)(1-methylethylidene)bis(4,1-phenylene) ester
| Molecular Formula | C33H40O4 |
|---|---|
| Molecular Weight | 500.29 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.29266 |
| Heavy Atoms | 37 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 68892-29-5 |
|---|---|
| SMILES | CC1=C(CC(CC1)C(=O)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OC(=O)C4CCC(=C(C4)C)C)C |
| InChIKey | VZARETAGQKHPLY-UHFFFAOYSA-N |
Product Overview
RefChem:500758 (CAS 68892-29-5), with molecular formula C33H40O4 and molecular weight 500.29 g/mol. IUPAC: [4-[2-[4-(3,4-dimethylcyclohex-3-ene-1-carbonyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of RefChem:500758
Property Insights of RefChem:500758
The XLogP value of 6.8 indicates that RefChem:500758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:500758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:500758 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:500758?
The CAS number of RefChem:500758 is 68892-29-5.
What is the molecular formula of RefChem:500758?
The molecular formula of RefChem:500758 is C33H40O4.
What is the molecular weight of RefChem:500758?
The molecular weight of RefChem:500758 is 500.29 g/mol.
Where can I buy RefChem:500758?
You can request a quote for RefChem:500758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:500758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:500758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.