UK 80695
TL;DR: UK 80695 (CAS 127346-86-5) is a chemical compound with molecular formula C38H54O9 and molecular weight 654.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
Also Known As: Not named, UK 80695, [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-But-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate, Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-13-(2-methyl-1-oxopropoxy)-25-(1-methyl-1-propenyl)-, (6R,13R,25S)-
| Molecular Formula | C38H54O9 |
|---|---|
| Molecular Weight | 654.38 g/mol |
| LogP | 5.6582 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 654.3768 |
| Heavy Atoms | 47 |
| Complexity | 1356.2899 |
Chemical Identifiers
| CAS Number | 127346-86-5 |
|---|---|
| SMILES | C/C=C(\C)/[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)C |
Product Overview
UK 80695 (CAS 127346-86-5), with molecular formula C38H54O9 and molecular weight 654.38 g/mol. IUPAC: [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate.
Chemical Property Profile of UK 80695
Property Insights of UK 80695
The XLogP value of 5.6582 indicates that UK 80695 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.75 Ų falls within the moderate polarity range, balancing permeability and solubility for UK 80695. Following Lipinski's Rule of Five, UK 80695 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UK 80695?
The CAS number of UK 80695 is 127346-86-5.
What is the molecular formula of UK 80695?
The molecular formula of UK 80695 is C38H54O9.
What is the molecular weight of UK 80695?
The molecular weight of UK 80695 is 654.38 g/mol.
Where can I buy UK 80695?
You can request a quote for UK 80695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UK 80695?
Yes, KEHONG BIO provides custom synthesis services for UK 80695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.