Allamandicin
TL;DR: Allamandicin (CAS 51838-83-6) is a chemical compound with molecular formula C15H16O7 and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
Also Known As: ALLAMANDICIN, 9083AF, 4CN-2618, methyl 1-hydroxyethyl(oxo)[?]carboxylate, NCI60_002014
| Molecular Formula | C15H16O7 |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0896 |
| Heavy Atoms | 22 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 51838-83-6 |
|---|---|
| SMILES | CC(C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O)O |
| InChIKey | RMYLCIMGXGYTTK-UHFFFAOYSA-N |
Product Overview
Allamandicin (CAS 51838-83-6), with molecular formula C15H16O7 and molecular weight 308.09 g/mol. IUPAC: methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate.
Chemical Property Profile of Allamandicin
Property Insights of Allamandicin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allamandicin. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Allamandicin. Following Lipinski's Rule of Five, Allamandicin 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 Allamandicin?
The CAS number of Allamandicin is 51838-83-6.
What is the molecular formula of Allamandicin?
The molecular formula of Allamandicin is C15H16O7.
What is the molecular weight of Allamandicin?
The molecular weight of Allamandicin is 308.09 g/mol.
Where can I buy Allamandicin?
You can request a quote for Allamandicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allamandicin?
Yes, KEHONG BIO provides custom synthesis services for Allamandicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.