Dircin
TL;DR: Dircin (CAS 88497-93-2) is a chemical compound with molecular formula C39H52O11 and molecular weight 696.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4R,5R,6S,7S,9R,10S,11S,12S,13S,14S,15S,22R,23S,25R)-22-acetyloxy-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-yl] benzoate
Also Known As: Dircin, (2S,3R,10S,10aS,11S,12S,12aS,13S,13aR,14aS,14bS,15R,16R,18R,18aR,18bR)-3-(Acetyloxy)-12a,13-dihydroxy-13a-(hydroxymethyl)-10,11,18-trimethyl-16-(prop-1-en-2-yl)icosahydro-3H-2,15:2,16-diepoxybenzo[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-12-yl benzoate, 3-(Acetyloxy)-12a,13-dihydroxy-13a-(hydroxymethyl)-10,11,18-trimethyl-16-(prop-1-en-2-yl)icosahydro-3H-2,15:2,16-diepoxybenzo[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-12-yl benzoate
| Molecular Formula | C39H52O11 |
|---|---|
| Molecular Weight | 696.35 g/mol |
| LogP | 4.0607 |
| Topological Polar Surface Area | 153.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 696.35095 |
| Heavy Atoms | 50 |
| Complexity | 1551.1553 |
Chemical Identifiers
| CAS Number | 88497-93-2 |
|---|---|
| SMILES | C[C@H]1CCCCCC[C@H]([C@]23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC(=O)C8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)C)O)O)CO)OC(=O)C |
Product Overview
Dircin (CAS 88497-93-2), with molecular formula C39H52O11 and molecular weight 696.35 g/mol. IUPAC: [(1R,2R,4R,5R,6S,7S,9R,10S,11S,12S,13S,14S,15S,22R,23S,25R)-22-acetyloxy-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-yl] benzoate.
Chemical Property Profile of Dircin
Property Insights of Dircin
The XLogP value of 4.0607 indicates that Dircin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.51 Ų indicates high polarity, suggesting Dircin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dircin has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dircin?
The CAS number of Dircin is 88497-93-2.
What is the molecular formula of Dircin?
The molecular formula of Dircin is C39H52O11.
What is the molecular weight of Dircin?
The molecular weight of Dircin is 696.35 g/mol.
Where can I buy Dircin?
You can request a quote for Dircin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dircin?
Yes, KEHONG BIO provides custom synthesis services for Dircin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.