4a,6-Diene-bactobolin
TL;DR: 4a,6-Diene-bactobolin (CAS 142429-36-5) is a chemical compound with molecular formula C14H16Cl2N2O4 and molecular weight 346.0487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-N-[(3S,4S)-3-(dichloromethyl)-8-hydroxy-3-methyl-1-oxo-4H-isochromen-4-yl]propanamide
Also Known As: 4a,6-Diene-bactobolin, Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3-alpha,4-alpha(R*)))-, 2-Amino-N-[(3S,4S)-3-(dichloromethyl)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl]propanimidic acid, 2-amino-N-[(3S,4S)-3-(dichloromethyl)-8-hydroxy-3-methyl-1-oxo-4H-isochromen-4-yl]propanamide, 2-Amino-N-[3-(dichloromethyl)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl]propanimidic acid
Technical Specifications
| Molecular Formula | C14H16Cl2N2O4 |
| Molecular Weight | 346.0487 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0487 Da |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
| SMILES | CC(C(=O)N[C@H]1C2=C(C(=CC=C2)O)C(=O)O[C@]1(C)C(Cl)Cl)N |
| InChIKey | DDMYCIQDOLKAAA-FHOUQSSTSA-N |
Chemical Property Profile of 4a,6-Diene-bactobolin
Property Insights of 4a,6-Diene-bactobolin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,6-Diene-bactobolin. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a,6-Diene-bactobolin. Following Lipinski's Rule of Five, 4a,6-Diene-bactobolin has 3 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 4a,6-Diene-bactobolin?
The CAS number of 4a,6-Diene-bactobolin is 142429-36-5.
What is the molecular formula of 4a,6-Diene-bactobolin?
The molecular formula of 4a,6-Diene-bactobolin is C14H16Cl2N2O4.
What is the molecular weight of 4a,6-Diene-bactobolin?
The molecular weight of 4a,6-Diene-bactobolin is 346.0487 g/mol.
Where can I buy 4a,6-Diene-bactobolin?
You can request a quote for 4a,6-Diene-bactobolin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4a,6-Diene-bactobolin?
Yes, CoreyChem provides custom synthesis services for 4a,6-Diene-bactobolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.