UPCMLD0ENAT5747946:001
TL;DR: UPCMLD0ENAT5747946:001 (CAS 163080-66-8) is a chemical compound with molecular formula C21H24N4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(pentylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: UPCMLD0ENAT5747946:001, 11-(pentylamino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(pentylamino)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(pentylamino)-7,8,9,10,12-pentahydrobenzimidazolo[1,2-b]isoquinoline-6-carb onitrile, 11-(pentylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C21H24N4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 4.84008 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.2001 |
| Heavy Atoms | 25 |
| Complexity | 961.57666 |
Chemical Identifiers
| CAS Number | 163080-66-8 |
|---|---|
| SMILES | CCCCCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N |
Product Overview
UPCMLD0ENAT5747946:001 (CAS 163080-66-8), with molecular formula C21H24N4 and molecular weight 332.20 g/mol. IUPAC: 11-(pentylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747946:001
Property Insights of UPCMLD0ENAT5747946:001
The XLogP value of 4.84008 indicates that UPCMLD0ENAT5747946:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, UPCMLD0ENAT5747946:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747946:001 has 1 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT5747946:001?
The CAS number of UPCMLD0ENAT5747946:001 is 163080-66-8.
What is the molecular formula of UPCMLD0ENAT5747946:001?
The molecular formula of UPCMLD0ENAT5747946:001 is C21H24N4.
What is the molecular weight of UPCMLD0ENAT5747946:001?
The molecular weight of UPCMLD0ENAT5747946:001 is 332.20 g/mol.
Where can I buy UPCMLD0ENAT5747946:001?
You can request a quote for UPCMLD0ENAT5747946:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747946:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747946:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.