Dinklacorine
TL;DR: Dinklacorine (CAS 60579-86-4) is a chemical compound with molecular formula C36H36N2O5 and molecular weight 576.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-16-ol
Also Known As: DINKLACORINE, Dinklacorin, O12-Demethyl-O12'-methyltiliacorine, J2.388.174H, (8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-16-ol
| Molecular Formula | C36H36N2O5 |
|---|---|
| Molecular Weight | 576.26 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 576.26245 |
| Heavy Atoms | 43 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 60579-86-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)C6=C(C=CC(=C6)C[C@@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)O |
| InChIKey | MMGBHVBJOIKWMF-WUFINQPMSA-N |
Product Overview
Dinklacorine (CAS 60579-86-4), with molecular formula C36H36N2O5 and molecular weight 576.26 g/mol. IUPAC: (8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-16-ol.
Chemical Property Profile of Dinklacorine
Property Insights of Dinklacorine
The XLogP value of 6.1 indicates that Dinklacorine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinklacorine. Following Lipinski's Rule of Five, Dinklacorine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinklacorine?
The CAS number of Dinklacorine is 60579-86-4.
What is the molecular formula of Dinklacorine?
The molecular formula of Dinklacorine is C36H36N2O5.
What is the molecular weight of Dinklacorine?
The molecular weight of Dinklacorine is 576.26 g/mol.
Where can I buy Dinklacorine?
You can request a quote for Dinklacorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinklacorine?
Yes, KEHONG BIO provides custom synthesis services for Dinklacorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.