Dercitin
TL;DR: Dercitin (CAS 115141-47-4) is a chemical compound with molecular formula C21H20N4S and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(9-methyl-6-thia-4,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),2,4,7,10,12(20),13,15,17-nonaen-2-yl)ethanamine
Also Known As: Dercitin, Dercitine, H-D-Thr(tBu)-OMe, 1H-Pyrido(4,3,2-mn)thiazolo(5,4-b)acridine-9-ethanamine, N,N,1-trimethyl-, N,N,1-Trimethyl-1H-pyrido(4,3,2-mn)thiazolo(5,4-b)acridine-9-ethanamine
| Molecular Formula | C21H20N4S |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.14087 |
| Heavy Atoms | 26 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 115141-47-4 |
|---|---|
| SMILES | CN1C=CC2=C3C1=C4C(=C(C3=NC5=CC=CC=C25)CCN(C)C)N=CS4 |
| InChIKey | COKHRCLLFPZOEI-UHFFFAOYSA-N |
Product Overview
Dercitin (CAS 115141-47-4), with molecular formula C21H20N4S and molecular weight 360.14 g/mol. IUPAC: N,N-dimethyl-2-(9-methyl-6-thia-4,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),2,4,7,10,12(20),13,15,17-nonaen-2-yl)ethanamine.
Chemical Property Profile of Dercitin
Property Insights of Dercitin
The XLogP value of 4.5 indicates that Dercitin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dercitin. Following Lipinski's Rule of Five, Dercitin has 0 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 Dercitin?
The CAS number of Dercitin is 115141-47-4.
What is the molecular formula of Dercitin?
The molecular formula of Dercitin is C21H20N4S.
What is the molecular weight of Dercitin?
The molecular weight of Dercitin is 360.14 g/mol.
Where can I buy Dercitin?
You can request a quote for Dercitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dercitin?
Yes, KEHONG BIO provides custom synthesis services for Dercitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.