UK 80694
TL;DR: UK 80694 (CAS 127346-84-3) is a chemical compound with molecular formula C42H60O12 and molecular weight 756.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3'R,4S,5'R,6S,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,22-tetramethyl-12-(2-methylpropanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylpropanoate
Also Known As: Not named, UK 80694, [(3'R,4S,5'R,6S,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-But-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,22-tetramethyl-12-(2-methylpropanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylpropanoate, Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-22-hydroxy-13,23-bis(2-methyl-1-oxopropoxy)-25-(1-methyl-1-propenyl)-, (6R,13R,22R,23S,25S)-
| Molecular Formula | C42H60O12 |
|---|---|
| Molecular Weight | 756.41 g/mol |
| LogP | 4.8067 |
| Topological Polar Surface Area | 167.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 756.40845 |
| Heavy Atoms | 54 |
| Complexity | 1588.3186 |
Chemical Identifiers
| CAS Number | 127346-84-3 |
|---|---|
| SMILES | C/C=C(\C)/[C@@H]1[C@H](C([C@H]([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)O)OC(=O)C(C)C)C |
Product Overview
UK 80694 (CAS 127346-84-3), with molecular formula C42H60O12 and molecular weight 756.41 g/mol. IUPAC: [(3'R,4S,5'R,6S,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,22-tetramethyl-12-(2-methylpropanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylpropanoate.
Chemical Property Profile of UK 80694
Property Insights of UK 80694
The XLogP value of 4.8067 indicates that UK 80694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.28 Ų indicates high polarity, suggesting UK 80694 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UK 80694 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UK 80694?
The CAS number of UK 80694 is 127346-84-3.
What is the molecular formula of UK 80694?
The molecular formula of UK 80694 is C42H60O12.
What is the molecular weight of UK 80694?
The molecular weight of UK 80694 is 756.41 g/mol.
Where can I buy UK 80694?
You can request a quote for UK 80694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UK 80694?
Yes, KEHONG BIO provides custom synthesis services for UK 80694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.