TAS-108 citrate
TL;DR: TAS-108 citrate (CAS 354808-47-2) is a chemical compound with molecular formula C39H55NO10 and molecular weight 697.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,9S,13R,14S,17R)-17-[2-[4-(diethylaminomethyl)-2-methoxyphenoxy]ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: TAS-108 citrate, SR 16234, TS 108, TAS108, 4-Nitro-11-amino-m-xylol
| Molecular Formula | C39H55NO10 |
|---|---|
| Molecular Weight | 697.38 g/mol |
| LogP | 6.1815 |
| Topological Polar Surface Area | 174.06 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 697.38257 |
| Heavy Atoms | 50 |
| Complexity | 1489.6938 |
Chemical Identifiers
| CAS Number | 354808-47-2 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=C(C=C1)OCC[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](CC5=C4C=CC(=C5)O)C)C)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
TAS-108 citrate (CAS 354808-47-2), with molecular formula C39H55NO10 and molecular weight 697.38 g/mol. IUPAC: (7R,8S,9S,13R,14S,17R)-17-[2-[4-(diethylaminomethyl)-2-methoxyphenoxy]ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of TAS-108 citrate
Property Insights of TAS-108 citrate
The XLogP value of 6.1815 indicates that TAS-108 citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.06 Ų indicates high polarity, suggesting TAS-108 citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TAS-108 citrate has 5 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 TAS-108 citrate?
The CAS number of TAS-108 citrate is 354808-47-2.
What is the molecular formula of TAS-108 citrate?
The molecular formula of TAS-108 citrate is C39H55NO10.
What is the molecular weight of TAS-108 citrate?
The molecular weight of TAS-108 citrate is 697.38 g/mol.
Where can I buy TAS-108 citrate?
You can request a quote for TAS-108 citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TAS-108 citrate?
Yes, KEHONG BIO provides custom synthesis services for TAS-108 citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.