RefChem:145964
TL;DR: RefChem:145964 (CAS 63665-90-7) is a chemical compound with molecular formula C44H78O3 and molecular weight 654.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate
Also Known As: Hexadecanoic acid, 3,4-dihydro-2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, 3,4-Dihydro-2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl hexadecanoate, [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate, 2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2h-chromen-6-yl palmitate, 3,4-dihydro-2,7,8-trimethyl-3-2h-1-benzopyran-6-ylhexadecanoate
| Molecular Formula | C44H78O3 |
|---|---|
| Molecular Weight | 654.60 g/mol |
| LogP | 18.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 28 |
| Exact Mass | 654.5951 |
| Heavy Atoms | 47 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 63665-90-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C2C(=C1)CC(C(O2)C)CCCC(C)CCCC(C)CCCC(C)C)C)C |
| InChIKey | MDEANXMHFKNOLF-UHFFFAOYSA-N |
Product Overview
RefChem:145964 (CAS 63665-90-7), with molecular formula C44H78O3 and molecular weight 654.60 g/mol. IUPAC: [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate.
Chemical Property Profile of RefChem:145964
Property Insights of RefChem:145964
The XLogP value of 18.0 indicates that RefChem:145964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, RefChem:145964 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:145964 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:145964?
The CAS number of RefChem:145964 is 63665-90-7.
What is the molecular formula of RefChem:145964?
The molecular formula of RefChem:145964 is C44H78O3.
What is the molecular weight of RefChem:145964?
The molecular weight of RefChem:145964 is 654.60 g/mol.
Where can I buy RefChem:145964?
You can request a quote for RefChem:145964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:145964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:145964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.