1-(3-isocyanopropyl)-1H-imidazole
TL;DR: 1-(3-isocyanopropyl)-1H-imidazole (CAS 1314136-06-5) is a chemical compound with molecular formula C7H9N3 and molecular weight 135.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-isocyanopropyl)imidazole
Also Known As: 1-(3-isocyanopropyl)-1H-imidazole, 1-(3-isocyanopropyl)imidazole, N-(3-Isocyanopropyl)imidazole, TOS-BB-0790, 995-085-2
| Molecular Formula | C7H9N3 |
|---|---|
| Molecular Weight | 135.08 g/mol |
| LogP | 1.19249 |
| Topological Polar Surface Area | 22.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.07965 |
| Heavy Atoms | 10 |
| Complexity | 207.25513 |
Chemical Identifiers
| CAS Number | 1314136-06-5 |
|---|---|
| SMILES | [C-]#[N+]CCCN1C=CN=C1 |
Product Overview
1-(3-isocyanopropyl)-1H-imidazole (CAS 1314136-06-5), with molecular formula C7H9N3 and molecular weight 135.08 g/mol. IUPAC: 1-(3-isocyanopropyl)imidazole.
Chemical Property Profile of 1-(3-isocyanopropyl)-1H-imidazole
Property Insights of 1-(3-isocyanopropyl)-1H-imidazole
The XLogP value of 1.19249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-isocyanopropyl)-1H-imidazole. With a topological polar surface area (TPSA) of 22.18 Ų, 1-(3-isocyanopropyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-isocyanopropyl)-1H-imidazole has 0 hydrogen bond donor(s) and 1 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 1-(3-isocyanopropyl)-1H-imidazole?
The CAS number of 1-(3-isocyanopropyl)-1H-imidazole is 1314136-06-5.
What is the molecular formula of 1-(3-isocyanopropyl)-1H-imidazole?
The molecular formula of 1-(3-isocyanopropyl)-1H-imidazole is C7H9N3.
What is the molecular weight of 1-(3-isocyanopropyl)-1H-imidazole?
The molecular weight of 1-(3-isocyanopropyl)-1H-imidazole is 135.08 g/mol.
Where can I buy 1-(3-isocyanopropyl)-1H-imidazole?
You can request a quote for 1-(3-isocyanopropyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-isocyanopropyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-isocyanopropyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.