AM-toxin I
TL;DR: AM-toxin I (CAS 53193-10-5) is a chemical compound with molecular formula C23H31N3O6 and molecular weight 445.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,9S,12S)-9-[3-(4-methoxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
Also Known As: AM-Toxin I, AM Toxin I, ALTERNARIOLIDE, Cyclo[Dha-L-Ala-3,3-dimethyl-L-Lac-5-(4-methoxyphenyl)-L-Nva-], (3S,9S,12S)-5,8,11-Trihydroxy-9-[3-(4-methoxyphenyl)propyl]-3-methyl-6-methylidene-12-(propan-2-yl)-1-oxa-4,7,10-triazacyclododeca-4,7,10-trien-2-one
| Molecular Formula | C23H31N3O6 |
|---|---|
| Molecular Weight | 445.22 g/mol |
| LogP | 1.2187 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.22128 |
| Heavy Atoms | 32 |
| Complexity | 864.9876 |
Chemical Identifiers
| CAS Number | 53193-10-5 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N1)CCCC2=CC=C(C=C2)OC)C(C)C |
Product Overview
AM-toxin I (CAS 53193-10-5), with molecular formula C23H31N3O6 and molecular weight 445.22 g/mol. IUPAC: (3S,9S,12S)-9-[3-(4-methoxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone.
Chemical Property Profile of AM-toxin I
Property Insights of AM-toxin I
The XLogP value of 1.2187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AM-toxin I. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AM-toxin I. Following Lipinski's Rule of Five, AM-toxin I has 3 hydrogen bond donor(s) and 6 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 AM-toxin I?
The CAS number of AM-toxin I is 53193-10-5.
What is the molecular formula of AM-toxin I?
The molecular formula of AM-toxin I is C23H31N3O6.
What is the molecular weight of AM-toxin I?
The molecular weight of AM-toxin I is 445.22 g/mol.
Where can I buy AM-toxin I?
You can request a quote for AM-toxin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AM-toxin I?
Yes, KEHONG BIO provides custom synthesis services for AM-toxin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.