Aspochracin
TL;DR: Aspochracin (CAS 22029-09-0) is a chemical compound with molecular formula C23H36N4O4 and molecular weight 432.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,6S)-6-methyl-6-[methyl-[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-4-[[(2E,4E,6E)-octa-2,4,6-trienylidene]amino]-5,7-dioxoheptanamide
Also Known As: Aspochracin, (4S,6S)-6-methyl-6-[methyl-[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-4-[[(2E,4E,6E)-octa-2,4,6-trienylidene]amino]-5,7-dioxoheptanamide, N-(3,4,7-Trimethyl-6-(1-methylethyl)-2,5,8-trioxo-1,4,7-triazacyclododecan-9-yl)-2,4,6-octatrienamide
| Molecular Formula | C23H36N4O4 |
|---|---|
| Molecular Weight | 432.27 g/mol |
| LogP | 1.6089 |
| Topological Polar Surface Area | 121.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 432.27365 |
| Heavy Atoms | 31 |
| Complexity | 739.8585 |
Chemical Identifiers
| CAS Number | 22029-09-0 |
|---|---|
| SMILES | C/C=C/C=C/C=C/C=N[C@@H](CCC(=O)N)C(=O)[C@](C)(C=O)N(C)C(=O)[C@H](C(C)C)NC |
Product Overview
Aspochracin (CAS 22029-09-0), with molecular formula C23H36N4O4 and molecular weight 432.27 g/mol. IUPAC: (4S,6S)-6-methyl-6-[methyl-[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-4-[[(2E,4E,6E)-octa-2,4,6-trienylidene]amino]-5,7-dioxoheptanamide.
Chemical Property Profile of Aspochracin
Property Insights of Aspochracin
The XLogP value of 1.6089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspochracin. The TPSA of 121.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspochracin. Following Lipinski's Rule of Five, Aspochracin has 2 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 Aspochracin?
The CAS number of Aspochracin is 22029-09-0.
What is the molecular formula of Aspochracin?
The molecular formula of Aspochracin is C23H36N4O4.
What is the molecular weight of Aspochracin?
The molecular weight of Aspochracin is 432.27 g/mol.
Where can I buy Aspochracin?
You can request a quote for Aspochracin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspochracin?
Yes, KEHONG BIO provides custom synthesis services for Aspochracin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.