VU0612116-1
TL;DR: VU0612116-1 (CAS 698986-56-0) is a chemical compound with molecular formula C20H14ClN3 and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(1-chloro-3,4-dihydronaphthalen-2-yl)prop-2-enenitrile
Also Known As: VU0612116-1, F3351-0498, (E)-2-(1H-benzimidazol-2-yl)-3-(1-chloro-3,4-dihydronaphthalen-2-yl)prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(1-chloro-3,4-dihydronaphthalen-2-yl)acrylonitrile, (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-(1-CHLORO-3,4-DIHYDRONAPHTHALEN-2-YL)PROP-2-ENENITRILE
| Molecular Formula | C20H14ClN3 |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 5.06618 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08762 |
| Heavy Atoms | 24 |
| Complexity | 1001.2186 |
Chemical Identifiers
| CAS Number | 698986-56-0 |
|---|---|
| SMILES | C1CC(=C(C2=CC=CC=C21)Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4N3 |
Product Overview
VU0612116-1 (CAS 698986-56-0), with molecular formula C20H14ClN3 and molecular weight 331.09 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(1-chloro-3,4-dihydronaphthalen-2-yl)prop-2-enenitrile.
Chemical Property Profile of VU0612116-1
Property Insights of VU0612116-1
The XLogP value of 5.06618 indicates that VU0612116-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, VU0612116-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0612116-1 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0612116-1?
The CAS number of VU0612116-1 is 698986-56-0.
What is the molecular formula of VU0612116-1?
The molecular formula of VU0612116-1 is C20H14ClN3.
What is the molecular weight of VU0612116-1?
The molecular weight of VU0612116-1 is 331.09 g/mol.
Where can I buy VU0612116-1?
You can request a quote for VU0612116-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0612116-1?
Yes, KEHONG BIO provides custom synthesis services for VU0612116-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.