NSC 301462
TL;DR: NSC 301462 (CAS 6121-60-4) is a chemical compound with molecular formula C19H26O7 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-acetyloxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: Anguidine deriv 3,15-diacetoxyscirpene-4-ol, (3alpha,4beta)-3,15-Diacetoxyscirpene-4-ol, 4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate, Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3,15-diacetate, (3alpha,4beta)-
| Molecular Formula | C19H26O7 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.16785 |
| Heavy Atoms | 26 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 6121-60-4 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)OC(=O)C)O)C)COC(=O)C |
| InChIKey | ZPPOOYJPNZHNBT-UHFFFAOYSA-N |
Product Overview
NSC 301462 (CAS 6121-60-4), with molecular formula C19H26O7 and molecular weight 366.17 g/mol. IUPAC: (10-acetyloxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of NSC 301462
Property Insights of NSC 301462
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 301462. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NSC 301462. Following Lipinski's Rule of Five, NSC 301462 has 1 hydrogen bond donor(s) and 7 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 NSC 301462?
The CAS number of NSC 301462 is 6121-60-4.
What is the molecular formula of NSC 301462?
The molecular formula of NSC 301462 is C19H26O7.
What is the molecular weight of NSC 301462?
The molecular weight of NSC 301462 is 366.17 g/mol.
Where can I buy NSC 301462?
You can request a quote for NSC 301462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 301462?
Yes, KEHONG BIO provides custom synthesis services for NSC 301462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.