UPCMLD0ENAT5749813:001
TL;DR: UPCMLD0ENAT5749813:001 (CAS 849034-62-4) is a chemical compound with molecular formula C22H17Cl2N3S and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5749813:001, 1-((2,4-dichlorobenzyl)thio)-3-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[(2,4-dichlorobenzyl)sulfanyl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 4-[(2,4-dichlorophenyl)methylthio]-2-propyl-5-hydropyridino[1,2-a]benzimidazol ecarbonitrile
| Molecular Formula | C22H17Cl2N3S |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 6.91078 |
| Topological Polar Surface Area | 41.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.05203 |
| Heavy Atoms | 28 |
| Complexity | 1224.1282 |
Chemical Identifiers
| CAS Number | 849034-62-4 |
|---|---|
| SMILES | CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C(C=C(C=C4)Cl)Cl)C#N |
Product Overview
UPCMLD0ENAT5749813:001 (CAS 849034-62-4), with molecular formula C22H17Cl2N3S and molecular weight 425.05 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5749813:001
Property Insights of UPCMLD0ENAT5749813:001
The XLogP value of 6.91078 indicates that UPCMLD0ENAT5749813:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.09 Ų, UPCMLD0ENAT5749813:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5749813:001 has 0 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 UPCMLD0ENAT5749813:001?
The CAS number of UPCMLD0ENAT5749813:001 is 849034-62-4.
What is the molecular formula of UPCMLD0ENAT5749813:001?
The molecular formula of UPCMLD0ENAT5749813:001 is C22H17Cl2N3S.
What is the molecular weight of UPCMLD0ENAT5749813:001?
The molecular weight of UPCMLD0ENAT5749813:001 is 425.05 g/mol.
Where can I buy UPCMLD0ENAT5749813:001?
You can request a quote for UPCMLD0ENAT5749813:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5749813:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5749813:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.