Atramycin A
TL;DR: Atramycin A (CAS 137109-48-9) is a chemical compound with molecular formula C25H24O9 and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6-hydroxy-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 A, (3S)-6-hydroxy-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, Benz(a)anthracene-1,7,12(2H)-trione, 8-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-6-hydroxy-3-methyl-, (S)-, (3S)-6-Hydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydrotetraphen-8-yl 6-deoxy-alpha-L-mannopyranoside, (3S)-6-hydroxy-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
| Molecular Formula | C25H24O9 |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.14203 |
| Heavy Atoms | 34 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 137109-48-9 |
|---|---|
| SMILES | C[C@H]1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O |
| InChIKey | WEVSDLAMOJTGBF-JIOQQOEXSA-N |
Product Overview
Atramycin A (CAS 137109-48-9), with molecular formula C25H24O9 and molecular weight 468.14 g/mol. IUPAC: (3S)-6-hydroxy-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.
Chemical Property Profile of Atramycin A
Property Insights of Atramycin A
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atramycin A. The TPSA of 151.0 Ų indicates high polarity, suggesting Atramycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atramycin A has 4 hydrogen bond donor(s) and 9 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 Atramycin A?
The CAS number of Atramycin A is 137109-48-9.
What is the molecular formula of Atramycin A?
The molecular formula of Atramycin A is C25H24O9.
What is the molecular weight of Atramycin A?
The molecular weight of Atramycin A is 468.14 g/mol.
Where can I buy Atramycin A?
You can request a quote for Atramycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atramycin A?
Yes, KEHONG BIO provides custom synthesis services for Atramycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.