Epicriptine
TL;DR: Epicriptine (CAS 88660-47-3) is a chemical compound with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Epicriptine, Epicriptina, Epicriptinum, Epicryptine, Epicriptine [INN]
| Molecular Formula | C32H43N5O5 |
|---|---|
| Molecular Weight | 577.33 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.3264 |
| Heavy Atoms | 42 |
| Complexity | 1130.0 |
| Boiling Point | 848 |
Chemical Identifiers
| CAS Number | 88660-47-3 |
|---|---|
| SMILES | CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O |
| InChIKey | SBFXHXZNBNFPHV-PXXBSISHSA-N |
Product Overview
Epicriptine (CAS 88660-47-3), with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Epicriptine
Property Insights of Epicriptine
The XLogP value of 3.1 indicates that Epicriptine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Epicriptine. Following Lipinski's Rule of Five, Epicriptine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epicriptine?
The CAS number of Epicriptine is 88660-47-3.
What is the molecular formula of Epicriptine?
The molecular formula of Epicriptine is C32H43N5O5.
What is the molecular weight of Epicriptine?
The molecular weight of Epicriptine is 577.33 g/mol.
Where can I buy Epicriptine?
You can request a quote for Epicriptine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epicriptine?
Yes, KEHONG BIO provides custom synthesis services for Epicriptine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.