RefChem:411102
TL;DR: RefChem:411102 (CAS 36388-36-0) is a chemical compound with molecular formula C48H74O4 and molecular weight 714.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)methyl] benzene-1,2-dicarboxylate
Also Known As: Phthalic acid, tetrahydroabietyl alcohol diester, Phthalic acid tetrahydroabietyl alcohol diester, Abietan-18-yl abietan-19-yl benzene-1,2-dicarboxylate, 1,2-benzenedicarboxylic acid,bis((tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl) ester, bis[[1,4a-Dimethyl-7-(1-methylethyl)tetradecahydrophenanthryl]methyl] phthalate
| Molecular Formula | C48H74O4 |
|---|---|
| Molecular Weight | 714.56 g/mol |
| LogP | 15.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 714.5587 |
| Heavy Atoms | 52 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 36388-36-0 |
|---|---|
| SMILES | CC(C)C1CCC2C(C1)CCC3C2(CCCC3(C)COC(=O)C4=CC=CC=C4C(=O)OCC5(CCCC6(C5CCC7C6CCC(C7)C(C)C)C)C)C |
| InChIKey | VLSXLXWSXZUGFV-UHFFFAOYSA-N |
Product Overview
RefChem:411102 (CAS 36388-36-0), with molecular formula C48H74O4 and molecular weight 714.56 g/mol. IUPAC: bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)methyl] benzene-1,2-dicarboxylate.
Chemical Property Profile of RefChem:411102
Property Insights of RefChem:411102
The XLogP value of 15.9 indicates that RefChem:411102 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:411102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:411102 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:411102?
The CAS number of RefChem:411102 is 36388-36-0.
What is the molecular formula of RefChem:411102?
The molecular formula of RefChem:411102 is C48H74O4.
What is the molecular weight of RefChem:411102?
The molecular weight of RefChem:411102 is 714.56 g/mol.
Where can I buy RefChem:411102?
You can request a quote for RefChem:411102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:411102?
Yes, KEHONG BIO provides custom synthesis services for RefChem:411102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.