Coniothyriomycin
TL;DR: Coniothyriomycin (CAS 141805-68-7) is a chemical compound with molecular formula C13H12ClNO5 and molecular weight 297.0404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-4-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-4-oxobut-2-enoate
Also Known As: Coniothyriomycin, J1.913.162I, methyl (E)-4-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-4-oxobut-2-enoate, (2E)-4-[[(3-Chloro-4-hydroxyphenyl)acetyl]amino]-4-oxo-2-butenoic acid methyl ester, METHYL (2E)-4-[2-(3-CHLORO-4-HYDROXYPHENYL)ACETAMIDO]-4-OXOBUT-2-ENOATE
Technical Specifications
| Molecular Formula | C13H12ClNO5 |
| Molecular Weight | 297.0404 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0404 Da |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
| SMILES | COC(=O)/C=C/C(=O)NC(=O)CC1=CC(=C(C=C1)O)Cl |
| InChIKey | STQJFTAVSIAHAT-SNAWJCMRSA-N |
Chemical Property Profile of Coniothyriomycin
Property Insights of Coniothyriomycin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coniothyriomycin. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Coniothyriomycin. Following Lipinski's Rule of Five, Coniothyriomycin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Coniothyriomycin?
The CAS number of Coniothyriomycin is 141805-68-7.
What is the molecular formula of Coniothyriomycin?
The molecular formula of Coniothyriomycin is C13H12ClNO5.
What is the molecular weight of Coniothyriomycin?
The molecular weight of Coniothyriomycin is 297.0404 g/mol.
Where can I buy Coniothyriomycin?
You can request a quote for Coniothyriomycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coniothyriomycin?
Yes, CoreyChem provides custom synthesis services for Coniothyriomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.