Diabietic acid
TL;DR: Diabietic acid (CAS 33476-75-4) is a chemical compound with molecular formula C40H60O4 and molecular weight 604.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 9,22-dimethyl-13,26-di(propan-2-yl)heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-2(28),15(27)-diene-5,18-dicarboxylate
Also Known As: Diabietic acid, Dibenzo(fg,qr)pentacene-7,15-dicarboxylic acid, 1,2,3,3a,3b,4,5,6,7,7a,8,8b,9,10,11,11a,11b,12,13,14,15,15a,16,16b-tetracosahydro-1,9-diisopropyl-3b,7,11b,15-tetramethyl-, dimethyl 3b,11b-dimethyl-1,9-di(propan-2-yl)-1,2,3,3a,3b,4,5,6,7,7a,8,8b,9,10,11,11a,11b,12,13,14,15,15a,16,16b-tetracosahydrodibenzo[fg,qr]pentacene-7,15-dicarboxylate
| Molecular Formula | C40H60O4 |
|---|---|
| Molecular Weight | 604.45 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.44916 |
| Heavy Atoms | 44 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 33476-75-4 |
|---|---|
| SMILES | CC(C)C1CCC2C3=C(CC4C2(CCCC4C(=O)OC)C)C5C(CCC6C5=C(C13)CC7C6(CCCC7C(=O)OC)C)C(C)C |
| InChIKey | YUBLEJQUORUUER-UHFFFAOYSA-N |
Product Overview
Diabietic acid (CAS 33476-75-4), with molecular formula C40H60O4 and molecular weight 604.45 g/mol. IUPAC: dimethyl 9,22-dimethyl-13,26-di(propan-2-yl)heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-2(28),15(27)-diene-5,18-dicarboxylate.
Chemical Property Profile of Diabietic acid
Property Insights of Diabietic acid
The XLogP value of 9.0 indicates that Diabietic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diabietic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diabietic acid 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 Diabietic acid?
The CAS number of Diabietic acid is 33476-75-4.
What is the molecular formula of Diabietic acid?
The molecular formula of Diabietic acid is C40H60O4.
What is the molecular weight of Diabietic acid?
The molecular weight of Diabietic acid is 604.45 g/mol.
Where can I buy Diabietic acid?
You can request a quote for Diabietic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diabietic acid?
Yes, KEHONG BIO provides custom synthesis services for Diabietic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.