UPCMLD0ENAT5750313:001
TL;DR: UPCMLD0ENAT5750313:001 (CAS 305335-48-2) is a chemical compound with molecular formula C27H29BrN4 and molecular weight 488.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromoanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5750313:001, 1-[(4-bromophenyl)amino]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-bromoanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((4-bromophenyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 4-[(4-bromophenyl)amino]-2-methyl-3-octyl-5-hydropyridino[1,2-a]benzimidazolec arbonitrile
| Molecular Formula | C27H29BrN4 |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 8.0767 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.15756 |
| Heavy Atoms | 32 |
| Complexity | 1265.2844 |
Chemical Identifiers
| CAS Number | 305335-48-2 |
|---|---|
| SMILES | CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)Br |
Product Overview
UPCMLD0ENAT5750313:001 (CAS 305335-48-2), with molecular formula C27H29BrN4 and molecular weight 488.16 g/mol. IUPAC: 1-(4-bromoanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5750313:001
Property Insights of UPCMLD0ENAT5750313:001
The XLogP value of 8.0767 indicates that UPCMLD0ENAT5750313:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, UPCMLD0ENAT5750313:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5750313:001 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5750313:001?
The CAS number of UPCMLD0ENAT5750313:001 is 305335-48-2.
What is the molecular formula of UPCMLD0ENAT5750313:001?
The molecular formula of UPCMLD0ENAT5750313:001 is C27H29BrN4.
What is the molecular weight of UPCMLD0ENAT5750313:001?
The molecular weight of UPCMLD0ENAT5750313:001 is 488.16 g/mol.
Where can I buy UPCMLD0ENAT5750313:001?
You can request a quote for UPCMLD0ENAT5750313:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5750313:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5750313:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.