9,10-Dihydro-beta-ergocryptine
TL;DR: 9,10-Dihydro-beta-ergocryptine (CAS 19467-62-0) 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-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, dihydro-beta-ergocryptine, beta-dihydroergocryptine, 9,10-dihydro-beta-ergocryptine, (10alphaH)-5'alpha-(butan-2-yl)-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
| Molecular Formula | C32H43N5O5 |
|---|---|
| Molecular Weight | 577.33 g/mol |
| LogP | 2.5206 |
| Topological Polar Surface Area | 118.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.3264 |
| Heavy Atoms | 42 |
| Complexity | 1455.89 |
Chemical Identifiers
| CAS Number | 19467-62-0 |
|---|---|
| SMILES | CCC(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 |
Product Overview
9,10-Dihydro-beta-ergocryptine (CAS 19467-62-0), with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-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 9,10-Dihydro-beta-ergocryptine
Property Insights of 9,10-Dihydro-beta-ergocryptine
The XLogP value of 2.5206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydro-beta-ergocryptine. The TPSA of 118.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dihydro-beta-ergocryptine. Following Lipinski's Rule of Five, 9,10-Dihydro-beta-ergocryptine 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 9,10-Dihydro-beta-ergocryptine?
The CAS number of 9,10-Dihydro-beta-ergocryptine is 19467-62-0.
What is the molecular formula of 9,10-Dihydro-beta-ergocryptine?
The molecular formula of 9,10-Dihydro-beta-ergocryptine is C32H43N5O5.
What is the molecular weight of 9,10-Dihydro-beta-ergocryptine?
The molecular weight of 9,10-Dihydro-beta-ergocryptine is 577.33 g/mol.
Where can I buy 9,10-Dihydro-beta-ergocryptine?
You can request a quote for 9,10-Dihydro-beta-ergocryptine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydro-beta-ergocryptine?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-beta-ergocryptine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.