Didesmethyl sumatriptan
TL;DR: Didesmethyl sumatriptan (CAS 88919-22-6) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
Also Known As: Didesmethyl sumatriptan, 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide, Sumatriptan EP Impurity E, 1-(3-(2-Aminoethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide, Sumatriptan succinate EP Impurity E
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 0.7183 |
| Topological Polar Surface Area | 87.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 646.3863 |
Chemical Identifiers
| CAS Number | 88919-22-6 |
|---|---|
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN |
Product Overview
Didesmethyl sumatriptan (CAS 88919-22-6), with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol. IUPAC: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide.
Chemical Property Profile of Didesmethyl sumatriptan
Property Insights of Didesmethyl sumatriptan
The XLogP value of 0.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Didesmethyl sumatriptan. The TPSA of 87.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Didesmethyl sumatriptan. Following Lipinski's Rule of Five, Didesmethyl sumatriptan has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Didesmethyl sumatriptan?
The CAS number of Didesmethyl sumatriptan is 88919-22-6.
What is the molecular formula of Didesmethyl sumatriptan?
The molecular formula of Didesmethyl sumatriptan is C12H17N3O2S.
What is the molecular weight of Didesmethyl sumatriptan?
The molecular weight of Didesmethyl sumatriptan is 267.10 g/mol.
Where can I buy Didesmethyl sumatriptan?
You can request a quote for Didesmethyl sumatriptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didesmethyl sumatriptan?
Yes, KEHONG BIO provides custom synthesis services for Didesmethyl sumatriptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.