(S)-3-氨基四氢噻吩-2-酮
TL;DR: (S)-3-氨基四氢噻吩-2-酮 (CAS 2338-04-7) is a chemical compound with molecular formula C45H70N4O8 and molecular weight 794.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-3-氨基四氢噻吩-2-酮
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-(2,4,6-trinitroanilino)dodecanoate
Also Known As: Tnpal cholesterol, Trinitrophenylaminolauryl cholesterol, KST-1A0015, Cholest-5-en-3-yl 12-(2,4,6-trinitroanilino)dodecanoate, (3
| Molecular Formula | C45H70N4O8 |
|---|---|
| Molecular Weight | 794.52 g/mol |
| LogP | 15.1 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 794.51935 |
| Heavy Atoms | 57 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 2338-04-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCCCCCCNC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)C |
| InChIKey | RDEZETYZVUJCLR-GYUGCDFYSA-N |
Product Overview
(S)-3-氨基四氢噻吩-2-酮 (CAS 2338-04-7), with molecular formula C45H70N4O8 and molecular weight 794.52 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-(2,4,6-trinitroanilino)dodecanoate.
Chemical Property Profile of (S)-3-氨基四氢噻吩-2-酮
Property Insights of (S)-3-氨基四氢噻吩-2-酮
The XLogP value of 15.1 indicates that (S)-3-氨基四氢噻吩-2-酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting (S)-3-氨基四氢噻吩-2-酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-3-氨基四氢噻吩-2-酮 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-氨基四氢噻吩-2-酮?
The CAS number of (S)-3-氨基四氢噻吩-2-酮 is 2338-04-7.
What is the molecular formula of (S)-3-氨基四氢噻吩-2-酮?
The molecular formula of (S)-3-氨基四氢噻吩-2-酮 is C45H70N4O8.
What is the molecular weight of (S)-3-氨基四氢噻吩-2-酮?
The molecular weight of (S)-3-氨基四氢噻吩-2-酮 is 794.52 g/mol.
Where can I buy (S)-3-氨基四氢噻吩-2-酮?
You can request a quote for (S)-3-氨基四氢噻吩-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-氨基四氢噻吩-2-酮?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-氨基四氢噻吩-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.