Rohitukine
TL;DR: Rohitukine (CAS 757903-87-0) is a chemical compound with molecular formula C16H19NO5 and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylchromen-4-one
Also Known As: Rohitukine, US9932327, Compound Rohitukine (1), 5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylchromen-4-one, 5,7-Dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-2-methyl-4H-1-benzopyran-4-one, 5,7-Dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-2-methyl-4H-chromen-4-one
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 1.29262 |
| Topological Polar Surface Area | 94.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 782.1803 |
Chemical Identifiers
| CAS Number | 757903-87-0 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C3CCN(CC3O)C |
Product Overview
Rohitukine (CAS 757903-87-0), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: 5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylchromen-4-one.
Chemical Property Profile of Rohitukine
Property Insights of Rohitukine
The XLogP value of 1.29262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rohitukine. The TPSA of 94.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Rohitukine. Following Lipinski's Rule of Five, Rohitukine has 3 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 Rohitukine?
The CAS number of Rohitukine is 757903-87-0.
What is the molecular formula of Rohitukine?
The molecular formula of Rohitukine is C16H19NO5.
What is the molecular weight of Rohitukine?
The molecular weight of Rohitukine is 305.13 g/mol.
Where can I buy Rohitukine?
You can request a quote for Rohitukine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rohitukine?
Yes, KEHONG BIO provides custom synthesis services for Rohitukine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.