Dimadectin
TL;DR: Dimadectin (CAS 156131-91-8) is a chemical compound with molecular formula C37H56O10 and molecular weight 660.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-21,24-dihydroxy-12-(2-methoxyethoxymethoxy)-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Also Known As: Dimadectin, Dimadectin [INN], (R)-5-Phenyl-2-(tert-butoxycarbonylamino)pentanoicacid, (1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-21,24-dihydroxy-12-(2-methoxyethoxymethoxy)-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one, A mixture of (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-(S)-sec-butyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-20,20b-dihydroxy-7-((2-methoxyethoxy)methoxy)-5',6,8,19-tetramethylspiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-17-one (major component) and (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-20,20b-dihydroxy-6'-isopropyl-7-((2-methoxyethoxy)methoxy)-5',6,8,19-tetramethylspiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-17-one
| Molecular Formula | C37H56O10 |
|---|---|
| Molecular Weight | 660.39 g/mol |
| LogP | 4.7859 |
| Topological Polar Surface Area | 122.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 660.3873 |
| Heavy Atoms | 47 |
| Complexity | 1223.3801 |
Chemical Identifiers
| CAS Number | 156131-91-8 |
|---|---|
| SMILES | C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(\[C@H]([C@H](/C=C\C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)OCOCCOC)/C)O[C@@H]1C(C)C |
Product Overview
Dimadectin (CAS 156131-91-8), with molecular formula C37H56O10 and molecular weight 660.39 g/mol. IUPAC: (1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-21,24-dihydroxy-12-(2-methoxyethoxymethoxy)-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.
Chemical Property Profile of Dimadectin
Property Insights of Dimadectin
The XLogP value of 4.7859 indicates that Dimadectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimadectin. Following Lipinski's Rule of Five, Dimadectin has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimadectin?
The CAS number of Dimadectin is 156131-91-8.
What is the molecular formula of Dimadectin?
The molecular formula of Dimadectin is C37H56O10.
What is the molecular weight of Dimadectin?
The molecular weight of Dimadectin is 660.39 g/mol.
Where can I buy Dimadectin?
You can request a quote for Dimadectin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimadectin?
Yes, KEHONG BIO provides custom synthesis services for Dimadectin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.