Aspicilin
TL;DR: Aspicilin (CAS 52461-05-9) is a chemical compound with molecular formula C18H32O5 and molecular weight 328.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-5,6,7-trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one
Also Known As: Aspicilin, (-)-Aspicillin, (3Z)-5,6,7-trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one, 5,6,7-Trihydroxy-18-methyloxacyclooctadec-3-en-2-one #, Oxacyclooctadec-3-en-2-one, 5,6,7-trihydroxy-18-methyl-
| Molecular Formula | C18H32O5 |
|---|---|
| Molecular Weight | 328.22 g/mol |
| LogP | 2.4716 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.22498 |
| Heavy Atoms | 23 |
| Complexity | 355.3211 |
Chemical Identifiers
| CAS Number | 52461-05-9 |
|---|---|
| SMILES | CC1CCCCCCCCCCC(C(C(/C=C\C(=O)O1)O)O)O |
Product Overview
Aspicilin (CAS 52461-05-9), with molecular formula C18H32O5 and molecular weight 328.22 g/mol. IUPAC: (3Z)-5,6,7-trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one.
Chemical Property Profile of Aspicilin
Property Insights of Aspicilin
The XLogP value of 2.4716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspicilin. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspicilin. Following Lipinski's Rule of Five, Aspicilin has 3 hydrogen bond donor(s) and 5 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 Aspicilin?
The CAS number of Aspicilin is 52461-05-9.
What is the molecular formula of Aspicilin?
The molecular formula of Aspicilin is C18H32O5.
What is the molecular weight of Aspicilin?
The molecular weight of Aspicilin is 328.22 g/mol.
Where can I buy Aspicilin?
You can request a quote for Aspicilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspicilin?
Yes, KEHONG BIO provides custom synthesis services for Aspicilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.