Atramycin B
TL;DR: Atramycin B (CAS 137109-49-0) is a chemical compound with molecular formula C25H24O8 and molecular weight 452.14713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Also Known As: Atramycin B, BY-90H, (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione, 3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydrotetraphen-8-yl 6-deoxyhexopyranoside, (3S)-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydrotetraphen-8-yl 6-deoxy-alpha-L-mannopyranoside
Technical Specifications
| Molecular Formula | C25H24O8 |
| Molecular Weight | 452.14713 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.14713 Da |
| Heavy Atoms | 33 |
| Complexity | 812.0 |
| SMILES | C[C@H]1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O |
| InChIKey | MOHALZUCHLKMFC-FGEMJCSKSA-N |
Chemical Property Profile of Atramycin B
Property Insights of Atramycin B
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atramycin B. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Atramycin B. Following Lipinski's Rule of Five, Atramycin B has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Atramycin B?
The CAS number of Atramycin B is 137109-49-0.
What is the molecular formula of Atramycin B?
The molecular formula of Atramycin B is C25H24O8.
What is the molecular weight of Atramycin B?
The molecular weight of Atramycin B is 452.14713 g/mol.
Where can I buy Atramycin B?
You can request a quote for Atramycin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atramycin B?
Yes, CoreyChem provides custom synthesis services for Atramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.