3,14-dihydrodecussine
TL;DR: 3,14-dihydrodecussine (CAS 79082-57-8) is a chemical compound with molecular formula C20H21N3 and molecular weight 303.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S,20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene
Also Known As: 3,14-dihydrodecussine, J3.782.141A, 1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 1,2,3,8,13,13a-hexahydro-1,8-dimethyl-, (8R,13aS)-, (12S,20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene, (8R,13aS)-1,8-Dimethyl-1,2,3,8,13,13a-hexahydro-1,7b,10-triazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene
| Molecular Formula | C20H21N3 |
|---|---|
| Molecular Weight | 303.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.17355 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 79082-57-8 |
|---|---|
| SMILES | C[C@@H]1C2=C(C[C@H]3C4=C(CCN3C)C5=CC=CC=C5N14)C=CN=C2 |
| InChIKey | YFWSIGRPVGRELZ-YJYMSZOUSA-N |
Product Overview
3,14-dihydrodecussine (CAS 79082-57-8), with molecular formula C20H21N3 and molecular weight 303.17 g/mol. IUPAC: (12S,20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene.
Chemical Property Profile of 3,14-dihydrodecussine
Property Insights of 3,14-dihydrodecussine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14-dihydrodecussine. With a topological polar surface area (TPSA) of 21.1 Ų, 3,14-dihydrodecussine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,14-dihydrodecussine 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 3,14-dihydrodecussine?
The CAS number of 3,14-dihydrodecussine is 79082-57-8.
What is the molecular formula of 3,14-dihydrodecussine?
The molecular formula of 3,14-dihydrodecussine is C20H21N3.
What is the molecular weight of 3,14-dihydrodecussine?
The molecular weight of 3,14-dihydrodecussine is 303.17 g/mol.
Where can I buy 3,14-dihydrodecussine?
You can request a quote for 3,14-dihydrodecussine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14-dihydrodecussine?
Yes, KEHONG BIO provides custom synthesis services for 3,14-dihydrodecussine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.