Dihydroxyaflavinine
TL;DR: Dihydroxyaflavinine (CAS 76410-56-5) is a chemical compound with molecular formula C28H39NO3 and molecular weight 437.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol
Also Known As: Dihydroxyaflavinine, (1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol, (1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-Hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-2,3,4,4a,5,6,7,7a,10,11-decahydro-1H-benzo[d]naphthalene-1,5-diol, 1H-Benzo(d)naphthalene-1,5-diol, 2,3,4,4a,5,6,7,7a,10,11-decahydro-9-(2-hydroxy-1-methylethyl)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-, (1alpha,4alpha,4aalpha,5beta,7alpha,7abeta,9(R*),11aR*)-, 9-(1-Hydroxypropan-2-yl)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-2,3,4,4a,5,6,7,7a,10,11-decahydro-1H-benzo[d]naphthalene-1,5-diol
| Molecular Formula | C28H39NO3 |
|---|---|
| Molecular Weight | 437.29 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.293 |
| Heavy Atoms | 32 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 76410-56-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@@H](C23[C@]1([C@@H](C[C@H]([C@H]2C(=C(CC3)[C@H](C)CO)C4=CNC5=CC=CC=C54)C)O)C)O |
| InChIKey | ZMEZVDUXYBOYTB-KNFQJDNVSA-N |
Product Overview
Dihydroxyaflavinine (CAS 76410-56-5), with molecular formula C28H39NO3 and molecular weight 437.29 g/mol. IUPAC: (1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol.
Chemical Property Profile of Dihydroxyaflavinine
Property Insights of Dihydroxyaflavinine
The XLogP value of 4.0 indicates that Dihydroxyaflavinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroxyaflavinine. Following Lipinski's Rule of Five, Dihydroxyaflavinine has 4 hydrogen bond donor(s) and 3 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 Dihydroxyaflavinine?
The CAS number of Dihydroxyaflavinine is 76410-56-5.
What is the molecular formula of Dihydroxyaflavinine?
The molecular formula of Dihydroxyaflavinine is C28H39NO3.
What is the molecular weight of Dihydroxyaflavinine?
The molecular weight of Dihydroxyaflavinine is 437.29 g/mol.
Where can I buy Dihydroxyaflavinine?
You can request a quote for Dihydroxyaflavinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroxyaflavinine?
Yes, KEHONG BIO provides custom synthesis services for Dihydroxyaflavinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.