UPCMLD0ENAT5748120:001
TL;DR: UPCMLD0ENAT5748120:001 (CAS 844862-81-3) is a chemical compound with molecular formula C24H29N5 and molecular weight 387.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(azepan-1-yl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: UPCMLD0ENAT5748120:001, F1616-0018, 11-((2-(azepan-1-yl)ethyl)amino)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 9-{[2-(azepan-1-yl)ethyl]amino}-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile, 11-[2-(azepan-1-yl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C24H29N5 |
|---|---|
| Molecular Weight | 387.24 g/mol |
| LogP | 4.52588 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.2423 |
| Heavy Atoms | 29 |
| Complexity | 1066.485 |
Chemical Identifiers
| CAS Number | 844862-81-3 |
|---|---|
| SMILES | C1CCCN(CC1)CCNC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N |
Product Overview
UPCMLD0ENAT5748120:001 (CAS 844862-81-3), with molecular formula C24H29N5 and molecular weight 387.24 g/mol. IUPAC: 11-[2-(azepan-1-yl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5748120:001
Property Insights of UPCMLD0ENAT5748120:001
The XLogP value of 4.52588 indicates that UPCMLD0ENAT5748120:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, UPCMLD0ENAT5748120:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5748120:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5748120:001?
The CAS number of UPCMLD0ENAT5748120:001 is 844862-81-3.
What is the molecular formula of UPCMLD0ENAT5748120:001?
The molecular formula of UPCMLD0ENAT5748120:001 is C24H29N5.
What is the molecular weight of UPCMLD0ENAT5748120:001?
The molecular weight of UPCMLD0ENAT5748120:001 is 387.24 g/mol.
Where can I buy UPCMLD0ENAT5748120:001?
You can request a quote for UPCMLD0ENAT5748120:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5748120:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5748120:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.