Takeda 779
TL;DR: Takeda 779 (CAS 229005-80-5) is a chemical compound with molecular formula C33H39ClN2O2 and molecular weight 530.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride
Also Known As: Takeda 779, TAK 799, TAK 779, tak-779 cation chloride, TAK779
| Molecular Formula | C33H39ClN2O2 |
|---|---|
| Molecular Weight | 530.27 g/mol |
| LogP | 3.77982 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.27 |
| Heavy Atoms | 38 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 229005-80-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-] |
| InChIKey | VDALIBWXVQVFGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Takeda 779 (CAS 229005-80-5), with molecular formula C33H39ClN2O2 and molecular weight 530.27 g/mol. IUPAC: dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride.
Chemical Property Profile of Takeda 779
Property Insights of Takeda 779
The XLogP value of 3.77982 indicates that Takeda 779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Takeda 779 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Takeda 779 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Takeda 779?
The CAS number of Takeda 779 is 229005-80-5.
What is the molecular formula of Takeda 779?
The molecular formula of Takeda 779 is C33H39ClN2O2.
What is the molecular weight of Takeda 779?
The molecular weight of Takeda 779 is 530.27 g/mol.
Where can I buy Takeda 779?
You can request a quote for Takeda 779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Takeda 779?
Yes, KEHONG BIO provides custom synthesis services for Takeda 779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.