TAK 778
TL;DR: TAK 778 (CAS 180185-61-9) is a chemical compound with molecular formula C24H28NO7PS and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxamide
Also Known As: TAK 778, TAK-778-SR, TAK778, J1.080.913D, (6R,8S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxamide
| Molecular Formula | C24H28NO7PS |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 5.0492 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.13242 |
| Heavy Atoms | 34 |
| Complexity | 1111.0497 |
Chemical Identifiers
| CAS Number | 180185-61-9 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC4=C(C=C3C(=O)[C@@H](S2)C)OCO4)OCC |
Product Overview
TAK 778 (CAS 180185-61-9), with molecular formula C24H28NO7PS and molecular weight 505.13 g/mol. IUPAC: (6R,8S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxamide.
Chemical Property Profile of TAK 778
Property Insights of TAK 778
The XLogP value of 5.0492 indicates that TAK 778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for TAK 778. Following Lipinski's Rule of Five, TAK 778 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TAK 778?
The CAS number of TAK 778 is 180185-61-9.
What is the molecular formula of TAK 778?
The molecular formula of TAK 778 is C24H28NO7PS.
What is the molecular weight of TAK 778?
The molecular weight of TAK 778 is 505.13 g/mol.
Where can I buy TAK 778?
You can request a quote for TAK 778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TAK 778?
Yes, KEHONG BIO provides custom synthesis services for TAK 778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.