Decussine
TL;DR: Decussine (CAS 75375-52-9) is a chemical compound with molecular formula C20H19N3 and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),12,14(19),15,17-octaene
Also Known As: Decussine, (R)-1,8-Dimethyl-1,2,3,8-tetrahydro-1,7b,10-triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 17,13-dimethyl-5,6-dihydro-7H,13H-pyrido(4',3':6,5)azepino(1,2,3,-1,m)-beta-carboline, 17,13-Dimethyl-5,6-dihydro-7H,13H-pyrido(4',3':6,5)azepino(1,2,3-l,m)-beta-carboline, 1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 1,2,3,8-tetrahydro-1,8-dimethyl-, (R)-
| Molecular Formula | C20H19N3 |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.1579 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 75375-52-9 |
|---|---|
| SMILES | C[C@@H]1C2=C(C=CN=C2)C=C3C4=C(CCN3C)C5=CC=CC=C5N14 |
| InChIKey | CSRPMFCRBOSISJ-CYBMUJFWSA-N |
Product Overview
Decussine (CAS 75375-52-9), with molecular formula C20H19N3 and molecular weight 301.16 g/mol. IUPAC: (20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),12,14(19),15,17-octaene.
Chemical Property Profile of Decussine
Property Insights of Decussine
The XLogP value of 3.3 indicates that Decussine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.1 Ų, Decussine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decussine has 0 hydrogen bond donor(s) and 2 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 Decussine?
The CAS number of Decussine is 75375-52-9.
What is the molecular formula of Decussine?
The molecular formula of Decussine is C20H19N3.
What is the molecular weight of Decussine?
The molecular weight of Decussine is 301.16 g/mol.
Where can I buy Decussine?
You can request a quote for Decussine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decussine?
Yes, KEHONG BIO provides custom synthesis services for Decussine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.