KST-1A0592
TL;DR: KST-1A0592 (CAS 112139-15-8) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9S,10R,11S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate
Also Known As: KST-1A0592, Trichotheca-9,12-diene-3,4,8,15-tetrol, 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-, (3, A,4, A,8
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 112139-15-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)CO |
| InChIKey | DNWKGWROJXVCHQ-UXKXJNSOSA-N |
Product Overview
KST-1A0592 (CAS 112139-15-8), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: [(1S,2R,4S,7R,9S,10R,11S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate.
Chemical Property Profile of KST-1A0592
Property Insights of KST-1A0592
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0592. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0592. Following Lipinski's Rule of Five, KST-1A0592 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A0592?
The CAS number of KST-1A0592 is 112139-15-8.
What is the molecular formula of KST-1A0592?
The molecular formula of KST-1A0592 is C20H30O6.
What is the molecular weight of KST-1A0592?
The molecular weight of KST-1A0592 is 366.20 g/mol.
Where can I buy KST-1A0592?
You can request a quote for KST-1A0592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0592?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.