Dihydergot
TL;DR: Dihydergot (CAS 11032-41-0) is a chemical compound with molecular formula C34H41N5O8S and molecular weight 679.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-benzyl-2-hydroxy-4-methyl-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;methanesulfonic acid
Also Known As: Dihydergot, Migranal, Dihydroergotamine mesylate, dihydroergotamine, Dergotamine
| Molecular Formula | C34H41N5O8S |
|---|---|
| Molecular Weight | 679.27 g/mol |
| LogP | 1.5851 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 679.2676 |
| Heavy Atoms | 48 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 11032-41-0 |
|---|---|
| SMILES | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O |
| InChIKey | ADYPXRFPBQGGAH-UHFFFAOYSA-N |
Product Overview
Dihydergot (CAS 11032-41-0), with molecular formula C34H41N5O8S and molecular weight 679.27 g/mol. IUPAC: N-(7-benzyl-2-hydroxy-4-methyl-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;methanesulfonic acid.
Chemical Property Profile of Dihydergot
Property Insights of Dihydergot
The XLogP value of 1.5851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydergot. The TPSA of 181.0 Ų indicates high polarity, suggesting Dihydergot may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydergot has 4 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 Dihydergot?
The CAS number of Dihydergot is 11032-41-0.
What is the molecular formula of Dihydergot?
The molecular formula of Dihydergot is C34H41N5O8S.
What is the molecular weight of Dihydergot?
The molecular weight of Dihydergot is 679.27 g/mol.
Where can I buy Dihydergot?
You can request a quote for Dihydergot directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydergot?
Yes, KEHONG BIO provides custom synthesis services for Dihydergot and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.