(3-吲哚基)丙烯叉丙二腈
TL;DR: (3-吲哚基)丙烯叉丙二腈 (CAS 101756-34-7) is a chemical compound with molecular formula C14H11N3 and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-吲哚基)丙烯叉丙二腈
2-[3-(1H-indol-3-yl)propylidene]propanedinitrile
Also Known As: (3-Indolyl)propenylidenemalononitrile, MALONONITRILE, (3-INDOLYL)PROPENYLIDENE-, [3-(1h-indol-3-yl)propylidene]propanedinitrile, 2-[3-(1H-indol-3-yl)propylidene]propanedinitrile, RefChem:351865
| Molecular Formula | C14H11N3 |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.09529 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 101756-34-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCC=C(C#N)C#N |
| InChIKey | IIANQTNBCMWVJB-UHFFFAOYSA-N |
Product Overview
(3-吲哚基)丙烯叉丙二腈 (CAS 101756-34-7), with molecular formula C14H11N3 and molecular weight 221.10 g/mol. IUPAC: 2-[3-(1H-indol-3-yl)propylidene]propanedinitrile.
Chemical Property Profile of (3-吲哚基)丙烯叉丙二腈
Property Insights of (3-吲哚基)丙烯叉丙二腈
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-吲哚基)丙烯叉丙二腈. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-吲哚基)丙烯叉丙二腈. Following Lipinski's Rule of Five, (3-吲哚基)丙烯叉丙二腈 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 (3-吲哚基)丙烯叉丙二腈?
The CAS number of (3-吲哚基)丙烯叉丙二腈 is 101756-34-7.
What is the molecular formula of (3-吲哚基)丙烯叉丙二腈?
The molecular formula of (3-吲哚基)丙烯叉丙二腈 is C14H11N3.
What is the molecular weight of (3-吲哚基)丙烯叉丙二腈?
The molecular weight of (3-吲哚基)丙烯叉丙二腈 is 221.10 g/mol.
Where can I buy (3-吲哚基)丙烯叉丙二腈?
You can request a quote for (3-吲哚基)丙烯叉丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-吲哚基)丙烯叉丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (3-吲哚基)丙烯叉丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.