RefChem:1082826
TL;DR: RefChem:1082826 (CAS 52717-89-2) is a chemical compound with molecular formula C31H39NO7 and molecular weight 537.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5-hydroxy-4-methoxy-5,7,14-trimethyl-13-methylidene-2,6,18-trioxo-17-azatricyclo[9.7.0.01,15]octadec-9-en-12-yl] acetate
Also Known As: Cytochalasa-6(12),13-diene-1,17,21-trione, 7-(acetyloxy)-18-hydroxy-19-methoxy-16,18-dimethyl-10-phenyl-, (7-beta,13E,16S,18R)-, CYTOCHALASA-6(12),13-DIENE-1,17,21-TRIONE, 7-(ACETYLOXY)-18-HYDROXY-19-METHOXY-1, RefChem:1082826
| Molecular Formula | C31H39NO7 |
|---|---|
| Molecular Weight | 537.27 g/mol |
| LogP | 2.9742 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 537.27264 |
| Heavy Atoms | 39 |
| Complexity | 1188.5776 |
Chemical Identifiers
| CAS Number | 52717-89-2 |
|---|---|
| SMILES | C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3C2(C(=O)CC([C@@](C1=O)(C)O)OC)C(=O)N[C@H]3CC4=CC=CC=C4)C)OC(=O)C |
Product Overview
RefChem:1082826 (CAS 52717-89-2), with molecular formula C31H39NO7 and molecular weight 537.27 g/mol. IUPAC: [(5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5-hydroxy-4-methoxy-5,7,14-trimethyl-13-methylidene-2,6,18-trioxo-17-azatricyclo[9.7.0.01,15]octadec-9-en-12-yl] acetate.
Chemical Property Profile of RefChem:1082826
Property Insights of RefChem:1082826
The XLogP value of 2.9742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082826. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1082826. Following Lipinski's Rule of Five, RefChem:1082826 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 RefChem:1082826?
The CAS number of RefChem:1082826 is 52717-89-2.
What is the molecular formula of RefChem:1082826?
The molecular formula of RefChem:1082826 is C31H39NO7.
What is the molecular weight of RefChem:1082826?
The molecular weight of RefChem:1082826 is 537.27 g/mol.
Where can I buy RefChem:1082826?
You can request a quote for RefChem:1082826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.