5-二甲氨基-3-吲哚乙腈
TL;DR: 5-二甲氨基-3-吲哚乙腈 (CAS 6843-24-9) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-二甲氨基-3-吲哚乙腈
2-[5-(dimethylamino)-1H-indol-3-yl]acetonitrile
Also Known As: 5-Dimethylamino-3-indoleacetonitrile, 3-INDOLEACETONITRILE, 5-DIMETHYLAMINO-, 5-22-14-00009 (Beilstein Handbook Reference), (5-dimethylamino-indol-3-yl)-acetonitrile, 2-[5-(dimethylamino)-1H-indol-3-yl]acetonitrile
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 6843-24-9 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)NC=C2CC#N |
| InChIKey | YWFOLYMXKIKTPA-UHFFFAOYSA-N |
Product Overview
5-二甲氨基-3-吲哚乙腈 (CAS 6843-24-9), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 2-[5-(dimethylamino)-1H-indol-3-yl]acetonitrile.
Chemical Property Profile of 5-二甲氨基-3-吲哚乙腈
Property Insights of 5-二甲氨基-3-吲哚乙腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-二甲氨基-3-吲哚乙腈. With a topological polar surface area (TPSA) of 42.8 Ų, 5-二甲氨基-3-吲哚乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-二甲氨基-3-吲哚乙腈 has 1 hydrogen bond donor(s) and 2 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 5-二甲氨基-3-吲哚乙腈?
The CAS number of 5-二甲氨基-3-吲哚乙腈 is 6843-24-9.
What is the molecular formula of 5-二甲氨基-3-吲哚乙腈?
The molecular formula of 5-二甲氨基-3-吲哚乙腈 is C12H13N3.
What is the molecular weight of 5-二甲氨基-3-吲哚乙腈?
The molecular weight of 5-二甲氨基-3-吲哚乙腈 is 199.11 g/mol.
Where can I buy 5-二甲氨基-3-吲哚乙腈?
You can request a quote for 5-二甲氨基-3-吲哚乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-二甲氨基-3-吲哚乙腈?
Yes, KEHONG BIO provides custom synthesis services for 5-二甲氨基-3-吲哚乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.