(6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B
TL;DR: (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B (CAS 77855-81-3) is a chemical compound with molecular formula C33H48O7 and molecular weight 556.34 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,13R,20R,21R,24S)-21,24-dihydroxy-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: Milbemycin D, (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B
| Molecular Formula | C33H48O7 |
|---|---|
| Molecular Weight | 556.34 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 556.34 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 77855-81-3 |
|---|---|
| SMILES | C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)CC=C(C[C@H](C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)C)O[C@@H]1C(C)C |
| InChIKey | BWCRYQGQPDBOAU-UUHSERRTSA-N |
Product Overview
(6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B (CAS 77855-81-3), with molecular formula C33H48O7 and molecular weight 556.34 g/mol. IUPAC: (1R,4S,5'S,6R,6'R,8R,13R,20R,21R,24S)-21,24-dihydroxy-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 (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B
Property Insights of (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B
The XLogP value of 4.1 indicates that (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B. Following Lipinski's Rule of Five, (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B has 2 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 (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B?
The CAS number of (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B is 77855-81-3.
What is the molecular formula of (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B?
The molecular formula of (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B is C33H48O7.
What is the molecular weight of (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B?
The molecular weight of (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B is 556.34 g/mol.
Where can I buy (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B?
You can request a quote for (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B?
Yes, KEHONG BIO provides custom synthesis services for (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.