UPCMLD0ENAT5748127:001
TL;DR: UPCMLD0ENAT5748127:001 (CAS 497075-80-6) is a chemical compound with molecular formula C33H30ClN5 and molecular weight 531.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: UPCMLD0ENAT5748127:001, 11-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 11-{4-[(4-CHLOROPHENYL)(PHENYL)METHYL]-1-PIPERAZINYL}-7,8,9,10-TETRAHYDROBENZIMIDAZO[1,2-B]ISOQUINOLINE-6-CARBONITRILE
| Molecular Formula | C33H30ClN5 |
|---|---|
| Molecular Weight | 531.22 g/mol |
| LogP | 6.80298 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.219 |
| Heavy Atoms | 39 |
| Complexity | 1692.556 |
Chemical Identifiers
| CAS Number | 497075-80-6 |
|---|---|
| SMILES | C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl |
Product Overview
UPCMLD0ENAT5748127:001 (CAS 497075-80-6), with molecular formula C33H30ClN5 and molecular weight 531.22 g/mol. IUPAC: 11-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5748127:001
Property Insights of UPCMLD0ENAT5748127:001
The XLogP value of 6.80298 indicates that UPCMLD0ENAT5748127:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5748127:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5748127:001 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 UPCMLD0ENAT5748127:001?
The CAS number of UPCMLD0ENAT5748127:001 is 497075-80-6.
What is the molecular formula of UPCMLD0ENAT5748127:001?
The molecular formula of UPCMLD0ENAT5748127:001 is C33H30ClN5.
What is the molecular weight of UPCMLD0ENAT5748127:001?
The molecular weight of UPCMLD0ENAT5748127:001 is 531.22 g/mol.
Where can I buy UPCMLD0ENAT5748127:001?
You can request a quote for UPCMLD0ENAT5748127:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5748127:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5748127:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.