Rel-zanthodioline
TL;DR: Rel-zanthodioline (CAS 198336-59-3) 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.
(3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
Also Known As: Zanthodioline, REL-ZANTHODIOLINE, (3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one, (3S)-2,2,6-Trimethyl-3beta,4alpha-dihydroxy-7-methoxy-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5(6H)-one, (3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-2H,3H,4H,5H,6H-pyrano[3,2-c]quinolin-5-one
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 1.1124 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 808.2688 |
Chemical Identifiers
| CAS Number | 198336-59-3 |
|---|---|
| SMILES | CC1([C@H]([C@@H](C2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)O)O)C |
Product Overview
Rel-zanthodioline (CAS 198336-59-3), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: (3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.
Chemical Property Profile of Rel-zanthodioline
Property Insights of Rel-zanthodioline
The XLogP value of 1.1124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rel-zanthodioline. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Rel-zanthodioline. Following Lipinski's Rule of Five, Rel-zanthodioline has 2 hydrogen bond donor(s) and 5 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 Rel-zanthodioline?
The CAS number of Rel-zanthodioline is 198336-59-3.
What is the molecular formula of Rel-zanthodioline?
The molecular formula of Rel-zanthodioline is C16H19NO5.
What is the molecular weight of Rel-zanthodioline?
The molecular weight of Rel-zanthodioline is 305.13 g/mol.
Where can I buy Rel-zanthodioline?
You can request a quote for Rel-zanthodioline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rel-zanthodioline?
Yes, KEHONG BIO provides custom synthesis services for Rel-zanthodioline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.