(2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione
TL;DR: (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione (CAS 71205-27-1) is a chemical compound with molecular formula C14H10Br2N2O4 and molecular weight 427.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione
Also Known As: EINECS 275-260-3, 9,10-Anthracenedione, 1,8-diamino-4,5-dihydroxy-, brominated, 1,8-Diamino-4,5-dihydroxy-9,10-anthracenedione, partially brominated, (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione
| Molecular Formula | C14H10Br2N2O4 |
|---|---|
| Molecular Weight | 427.90 g/mol |
| LogP | 2.0073 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 427.90073 |
| Heavy Atoms | 22 |
| Complexity | 813.55115 |
Chemical Identifiers
| CAS Number | 71205-27-1 |
|---|---|
| SMILES | C1=C([C@H](C(=O)[C@H]2C1=C(C3=C(C2=O)C(=CC(=C3O)Br)N)O)N)Br |
Product Overview
(2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione (CAS 71205-27-1), with molecular formula C14H10Br2N2O4 and molecular weight 427.90 g/mol. IUPAC: (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione.
Chemical Property Profile of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione
Property Insights of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione
The XLogP value of 2.0073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione. Following Lipinski's Rule of Five, (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione has 4 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 (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione?
The CAS number of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione is 71205-27-1.
What is the molecular formula of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione?
The molecular formula of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione is C14H10Br2N2O4.
What is the molecular weight of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione?
The molecular weight of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione is 427.90 g/mol.
Where can I buy (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione?
You can request a quote for (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione?
Yes, KEHONG BIO provides custom synthesis services for (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.