UPCMLD0ENAT5747953:001
TL;DR: UPCMLD0ENAT5747953:001 (CAS 459191-84-5) is a chemical compound with molecular formula C22H25N5O and molecular weight 375.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: UPCMLD0ENAT5747953:001, BAS 08139016, 11-(4-(2-hydroxyethyl)piperazin-1-yl)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-7,8,9,10-TETRAHYDROBENZIMIDAZO[1,2-B]ISOQUINOLINE-6-CARBONITRILE, 9-[4-(2-hydroxyethyl)piperazin-1-yl]-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile
| Molecular Formula | C22H25N5O |
|---|---|
| Molecular Weight | 375.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.2059 |
| Heavy Atoms | 28 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 459191-84-5 |
|---|---|
| SMILES | C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCN(CC5)CCO |
| InChIKey | BDNWDDQMLGFDFL-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5747953:001 (CAS 459191-84-5), with molecular formula C22H25N5O and molecular weight 375.21 g/mol. IUPAC: 11-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747953:001
Property Insights of UPCMLD0ENAT5747953:001
The XLogP value of 3.9 indicates that UPCMLD0ENAT5747953:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5747953:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5747953:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5747953:001?
The CAS number of UPCMLD0ENAT5747953:001 is 459191-84-5.
What is the molecular formula of UPCMLD0ENAT5747953:001?
The molecular formula of UPCMLD0ENAT5747953:001 is C22H25N5O.
What is the molecular weight of UPCMLD0ENAT5747953:001?
The molecular weight of UPCMLD0ENAT5747953:001 is 375.21 g/mol.
Where can I buy UPCMLD0ENAT5747953:001?
You can request a quote for UPCMLD0ENAT5747953:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747953:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747953:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.