UPCMLD0ENAT5749852:001
TL;DR: UPCMLD0ENAT5749852:001 (CAS 612522-99-3) is a chemical compound with molecular formula C27H29N5O and molecular weight 439.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5749852:001, 1-(4-(2-phenoxyethyl)piperazin-1-yl)-3-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, F1126-0244, 1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 13-[4-(2-phenoxyethyl)piperazin-1-yl]-11-propyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
| Molecular Formula | C27H29N5O |
|---|---|
| Molecular Weight | 439.24 g/mol |
| LogP | 4.51268 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.2372 |
| Heavy Atoms | 33 |
| Complexity | 1282.855 |
Chemical Identifiers
| CAS Number | 612522-99-3 |
|---|---|
| SMILES | CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)CCOC5=CC=CC=C5)C#N |
Product Overview
UPCMLD0ENAT5749852:001 (CAS 612522-99-3), with molecular formula C27H29N5O and molecular weight 439.24 g/mol. IUPAC: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5749852:001
Property Insights of UPCMLD0ENAT5749852:001
The XLogP value of 4.51268 indicates that UPCMLD0ENAT5749852:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, UPCMLD0ENAT5749852:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5749852:001 has 0 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 UPCMLD0ENAT5749852:001?
The CAS number of UPCMLD0ENAT5749852:001 is 612522-99-3.
What is the molecular formula of UPCMLD0ENAT5749852:001?
The molecular formula of UPCMLD0ENAT5749852:001 is C27H29N5O.
What is the molecular weight of UPCMLD0ENAT5749852:001?
The molecular weight of UPCMLD0ENAT5749852:001 is 439.24 g/mol.
Where can I buy UPCMLD0ENAT5749852:001?
You can request a quote for UPCMLD0ENAT5749852:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5749852:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5749852:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.