2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈
TL;DR: 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 (CAS 133550-06-8) is a chemical compound with molecular formula C15H9N5 and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈
2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: TYRPHOSTIN B7, Tyrphostin AG 370, KBio2_000114, KBio2_000534, KBio2_002682
| Molecular Formula | C15H9N5 |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0858 |
| Heavy Atoms | 20 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 133550-06-8 |
|---|---|
| SMILES | C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N |
| InChIKey | CMMDWEJTQUTCKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 (CAS 133550-06-8), with molecular formula C15H9N5 and molecular weight 259.09 g/mol. IUPAC: 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈
Property Insights of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈. Following Lipinski's Rule of Five, 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 has 2 hydrogen bond donor(s) and 4 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 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈?
The CAS number of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 is 133550-06-8.
What is the molecular formula of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈?
The molecular formula of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 is C15H9N5.
What is the molecular weight of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈?
The molecular weight of 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 is 259.09 g/mol.
Where can I buy 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈?
You can request a quote for 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-4-(1H-吲哚-5-基)丁-1,3-二烯-1,1,3-三甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.