TAN 1612
TL;DR: TAN 1612 (CAS 170663-42-0) is a chemical compound with molecular formula C21H18O9 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione
Also Known As: TAN 1612, BMS 192548, 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione, 2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,12(4H,5H)-dione, 2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione
| Molecular Formula | C21H18O9 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 0.8345 |
| Topological Polar Surface Area | 161.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.0951 |
| Heavy Atoms | 30 |
| Complexity | 1208.914 |
Chemical Identifiers
| CAS Number | 170663-42-0 |
|---|---|
| SMILES | CC(=O)C1=C(C2(C(=O)C3=C(C4=C(C=C(C=C4C=C3CC2(CC1=O)O)OC)O)O)O)O |
Product Overview
TAN 1612 (CAS 170663-42-0), with molecular formula C21H18O9 and molecular weight 414.10 g/mol. IUPAC: 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione.
Chemical Property Profile of TAN 1612
Property Insights of TAN 1612
The XLogP value of 0.8345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TAN 1612. The TPSA of 161.59 Ų indicates high polarity, suggesting TAN 1612 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TAN 1612 has 5 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 TAN 1612?
The CAS number of TAN 1612 is 170663-42-0.
What is the molecular formula of TAN 1612?
The molecular formula of TAN 1612 is C21H18O9.
What is the molecular weight of TAN 1612?
The molecular weight of TAN 1612 is 414.10 g/mol.
Where can I buy TAN 1612?
You can request a quote for TAN 1612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TAN 1612?
Yes, KEHONG BIO provides custom synthesis services for TAN 1612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.