UPCMLD0ENAT5761954:001
TL;DR: UPCMLD0ENAT5761954:001 (CAS 500105-99-7) is a chemical compound with molecular formula C29H42N4 and molecular weight 446.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-methylbutyl)-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5761954:001, 3-methyl-2-(3-methylbutyl)-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-isopentyl-3-methyl-1-(undecylamino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-ISOPENTYL-3-METHYL-1-(UNDECYLAMINO)PYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILE, 2-methyl-3-(3-methylbutyl)-4-(undecylamino)-5-hydropyridino[1,2-a]benzimidazol ecarbonitrile
| Molecular Formula | C29H42N4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 8.1989 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 446.34094 |
| Heavy Atoms | 33 |
| Complexity | 1070.8359 |
Chemical Identifiers
| CAS Number | 500105-99-7 |
|---|---|
| SMILES | CCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCC(C)C |
Product Overview
UPCMLD0ENAT5761954:001 (CAS 500105-99-7), with molecular formula C29H42N4 and molecular weight 446.34 g/mol. IUPAC: 3-methyl-2-(3-methylbutyl)-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5761954:001
Property Insights of UPCMLD0ENAT5761954:001
The XLogP value of 8.1989 indicates that UPCMLD0ENAT5761954:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, UPCMLD0ENAT5761954:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5761954:001 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 UPCMLD0ENAT5761954:001?
The CAS number of UPCMLD0ENAT5761954:001 is 500105-99-7.
What is the molecular formula of UPCMLD0ENAT5761954:001?
The molecular formula of UPCMLD0ENAT5761954:001 is C29H42N4.
What is the molecular weight of UPCMLD0ENAT5761954:001?
The molecular weight of UPCMLD0ENAT5761954:001 is 446.34 g/mol.
Where can I buy UPCMLD0ENAT5761954:001?
You can request a quote for UPCMLD0ENAT5761954:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5761954:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5761954:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.