Allamcin
TL;DR: Allamcin (CAS 93452-23-4) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
Also Known As: Allamcin, (11Z)-11-Ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 93452-23-4 |
|---|---|
| SMILES | CC=C1C2C3(C=CC4C3C(O2)OC(C4)O)OC1=O |
| InChIKey | DWWKELQVGKIHDR-UHFFFAOYSA-N |
Product Overview
Allamcin (CAS 93452-23-4), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: 11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one.
Chemical Property Profile of Allamcin
Property Insights of Allamcin
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allamcin. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Allamcin. Following Lipinski's Rule of Five, Allamcin has 1 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 Allamcin?
The CAS number of Allamcin is 93452-23-4.
What is the molecular formula of Allamcin?
The molecular formula of Allamcin is C13H14O5.
What is the molecular weight of Allamcin?
The molecular weight of Allamcin is 250.08 g/mol.
Where can I buy Allamcin?
You can request a quote for Allamcin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allamcin?
Yes, KEHONG BIO provides custom synthesis services for Allamcin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.