CHEBI:141367
TL;DR: CHEBI:141367 (CAS 112125-00-5) is a chemical compound with molecular formula C34H48O7 and molecular weight 568.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethylspiro[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: VM 44857, (1R,4S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-But-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one, Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-(1-methyl-1-propenyl)-, (6R,25S(E))-
| Molecular Formula | C34H48O7 |
|---|---|
| Molecular Weight | 568.34 g/mol |
| LogP | 5.4805 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 568.34 |
| Heavy Atoms | 41 |
| Complexity | 1163.568 |
Chemical Identifiers
| CAS Number | 112125-00-5 |
|---|---|
| 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@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)C |
Product Overview
CHEBI:141367 (CAS 112125-00-5), with molecular formula C34H48O7 and molecular weight 568.34 g/mol. IUPAC: (1R,4S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethylspiro[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 CHEBI:141367
Property Insights of CHEBI:141367
The XLogP value of 5.4805 indicates that CHEBI:141367 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CHEBI:141367. Following Lipinski's Rule of Five, CHEBI:141367 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 CHEBI:141367?
The CAS number of CHEBI:141367 is 112125-00-5.
What is the molecular formula of CHEBI:141367?
The molecular formula of CHEBI:141367 is C34H48O7.
What is the molecular weight of CHEBI:141367?
The molecular weight of CHEBI:141367 is 568.34 g/mol.
Where can I buy CHEBI:141367?
You can request a quote for CHEBI:141367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CHEBI:141367?
Yes, KEHONG BIO provides custom synthesis services for CHEBI:141367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.