Thaliglucinone
TL;DR: Thaliglucinone (CAS 35988-96-6) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[2-(dimethylamino)ethyl]-14-methoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11(19),12,14-heptaen-17-one
Also Known As: Thaliglucinone, 12-(2-(dimethylamino)ethyl)-14-methoxy-3,5,16-trioxapentacyclo(9.6.2.02,6.08,18.015,19)nonadeca-1(18),2(6),7,9,11(19),12,14-heptaen-17-one, 12-[2-(dimethylamino)ethyl]-14-methoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11(19),12,14-heptaen-17-one, 12-[2-(dimethylamino)ethyl]-14-methoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1,6,8,10,12,14,18-heptaen-17-one, 3-[2-(Dimethylamino)ethyl]-1-methoxy-10H-[1,3]dioxolo[6,7]phenanthro[4,5-bcd]pyran-10-one
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 35988-96-6 |
|---|---|
| SMILES | CN(C)CCC1=CC(=C2C3=C1C=CC4=CC5=C(C(=C43)C(=O)O2)OCO5)OC |
| InChIKey | ZLVXQJKCDNGHDK-UHFFFAOYSA-N |
Product Overview
Thaliglucinone (CAS 35988-96-6), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: 12-[2-(dimethylamino)ethyl]-14-methoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11(19),12,14-heptaen-17-one.
Chemical Property Profile of Thaliglucinone
Property Insights of Thaliglucinone
The XLogP value of 4.0 indicates that Thaliglucinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Thaliglucinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thaliglucinone has 0 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 Thaliglucinone?
The CAS number of Thaliglucinone is 35988-96-6.
What is the molecular formula of Thaliglucinone?
The molecular formula of Thaliglucinone is C21H19NO5.
What is the molecular weight of Thaliglucinone?
The molecular weight of Thaliglucinone is 365.13 g/mol.
Where can I buy Thaliglucinone?
You can request a quote for Thaliglucinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thaliglucinone?
Yes, KEHONG BIO provides custom synthesis services for Thaliglucinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.