UPCMLD0ENAT5747951:001
TL;DR: UPCMLD0ENAT5747951:001 (CAS 683796-19-2) is a chemical compound with molecular formula C27H25Cl2N5 and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: UPCMLD0ENAT5747951:001, 11-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 11-{4-[(2,4-dichlorophenyl)methyl]piperazinyl}-7,8,9,10,12-pentahydrobenzimida zolo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C27H25Cl2N5 |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 5.86698 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.1487 |
| Heavy Atoms | 34 |
| Complexity | 1443.443 |
Chemical Identifiers
| CAS Number | 683796-19-2 |
|---|---|
| SMILES | C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCN(CC5)CC6=C(C=C(C=C6)Cl)Cl |
Product Overview
UPCMLD0ENAT5747951:001 (CAS 683796-19-2), with molecular formula C27H25Cl2N5 and molecular weight 489.15 g/mol. IUPAC: 11-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747951:001
Property Insights of UPCMLD0ENAT5747951:001
The XLogP value of 5.86698 indicates that UPCMLD0ENAT5747951:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5747951:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747951:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5747951:001?
The CAS number of UPCMLD0ENAT5747951:001 is 683796-19-2.
What is the molecular formula of UPCMLD0ENAT5747951:001?
The molecular formula of UPCMLD0ENAT5747951:001 is C27H25Cl2N5.
What is the molecular weight of UPCMLD0ENAT5747951:001?
The molecular weight of UPCMLD0ENAT5747951:001 is 489.15 g/mol.
Where can I buy UPCMLD0ENAT5747951:001?
You can request a quote for UPCMLD0ENAT5747951:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747951:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747951:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.