9,10-Dihydroergosine
TL;DR: 9,10-Dihydroergosine (CAS 7288-61-1) is a chemical compound with molecular formula C30H39N5O5 and molecular weight 549.30 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)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-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: DHESN, 9,10-Dihydroergosine, Dihydroergosine, 9,10-Dihydroergosine methane sulfonate, 9,10-DIHYDRO-.ALPHA.-ERGOSINE
| Molecular Formula | C30H39N5O5 |
|---|---|
| Molecular Weight | 549.30 g/mol |
| LogP | 1.8845 |
| Topological Polar Surface Area | 118.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.2951 |
| Heavy Atoms | 40 |
| Complexity | 1406.019 |
Chemical Identifiers
| CAS Number | 7288-61-1 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O |
Product Overview
9,10-Dihydroergosine (CAS 7288-61-1), with molecular formula C30H39N5O5 and molecular weight 549.30 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-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-Dihydroergosine
Property Insights of 9,10-Dihydroergosine
The XLogP value of 1.8845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydroergosine. The TPSA of 118.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dihydroergosine. Following Lipinski's Rule of Five, 9,10-Dihydroergosine 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-Dihydroergosine?
The CAS number of 9,10-Dihydroergosine is 7288-61-1.
What is the molecular formula of 9,10-Dihydroergosine?
The molecular formula of 9,10-Dihydroergosine is C30H39N5O5.
What is the molecular weight of 9,10-Dihydroergosine?
The molecular weight of 9,10-Dihydroergosine is 549.30 g/mol.
Where can I buy 9,10-Dihydroergosine?
You can request a quote for 9,10-Dihydroergosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydroergosine?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydroergosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.