Alisamycin
TL;DR: Alisamycin (CAS 136398-54-4) is a chemical compound with molecular formula C29H32N2O7 and molecular weight 520.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(5-cyclohexylpenta-2,4-dienoylamino)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopenten-1-yl)hepta-2,4,6-trienamide
Also Known As: Alisamycin
| Molecular Formula | C29H32N2O7 |
|---|---|
| Molecular Weight | 520.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 520.22095 |
| Heavy Atoms | 38 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 136398-54-4 |
|---|---|
| SMILES | C1CCC(CC1)C=CC=CC(=O)NC2=CC(C3C(C2=O)O3)(C=CC=CC=CC(=O)NC4=C(CCC4=O)O)O |
| InChIKey | JNNCGBMBOYDZEW-UHFFFAOYSA-N |
Product Overview
Alisamycin (CAS 136398-54-4), with molecular formula C29H32N2O7 and molecular weight 520.22 g/mol. IUPAC: 7-[4-(5-cyclohexylpenta-2,4-dienoylamino)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopenten-1-yl)hepta-2,4,6-trienamide.
Chemical Property Profile of Alisamycin
Property Insights of Alisamycin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alisamycin. The TPSA of 145.0 Ų indicates high polarity, suggesting Alisamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alisamycin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alisamycin?
The CAS number of Alisamycin is 136398-54-4.
What is the molecular formula of Alisamycin?
The molecular formula of Alisamycin is C29H32N2O7.
What is the molecular weight of Alisamycin?
The molecular weight of Alisamycin is 520.22 g/mol.
Where can I buy Alisamycin?
You can request a quote for Alisamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alisamycin?
Yes, KEHONG BIO provides custom synthesis services for Alisamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.