UPCMLD0ENAT5747956:001
TL;DR: UPCMLD0ENAT5747956:001 (CAS 683796-10-3) is a chemical compound with molecular formula C32H31N5O and molecular weight 501.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: UPCMLD0ENAT5747956:001, 11-(4-(2-(naphthalen-1-yloxy)ethyl)piperazin-1-yl)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 11-[4-(2-naphthyloxyethyl)piperazinyl]-7,8,9,10,12-pentahydrobenzimidazolo[1,2 -b]isoquinoline-6-carbonitrile, 11-{4-[2-(naphthalen-1-yloxy)ethyl]piperazin-1-yl}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C32H31N5O |
|---|---|
| Molecular Weight | 501.25 g/mol |
| LogP | 5.59218 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.25287 |
| Heavy Atoms | 38 |
| Complexity | 1684.6398 |
Chemical Identifiers
| CAS Number | 683796-10-3 |
|---|---|
| SMILES | C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCN(CC5)CCOC6=CC=CC7=CC=CC=C76 |
Product Overview
UPCMLD0ENAT5747956:001 (CAS 683796-10-3), with molecular formula C32H31N5O and molecular weight 501.25 g/mol. IUPAC: 11-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747956:001
Property Insights of UPCMLD0ENAT5747956:001
The XLogP value of 5.59218 indicates that UPCMLD0ENAT5747956:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, UPCMLD0ENAT5747956:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747956:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5747956:001?
The CAS number of UPCMLD0ENAT5747956:001 is 683796-10-3.
What is the molecular formula of UPCMLD0ENAT5747956:001?
The molecular formula of UPCMLD0ENAT5747956:001 is C32H31N5O.
What is the molecular weight of UPCMLD0ENAT5747956:001?
The molecular weight of UPCMLD0ENAT5747956:001 is 501.25 g/mol.
Where can I buy UPCMLD0ENAT5747956:001?
You can request a quote for UPCMLD0ENAT5747956:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747956:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747956:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.