4X-0297
TL;DR: 4X-0297 (CAS 866019-79-6) is a chemical compound with molecular formula C21H22Cl2F3N5O and molecular weight 487.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)-3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazol-2-one
Also Known As: 4X-0297, 1-(3-chloropropyl)-3-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methyl)-1,3-dihydro-2H-1,3-benzimidazol-2-one, 1-(3-chloropropyl)-3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzimidazol-2-one, 1-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-3-(3-chloropropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one, 1-(3-CHLOROPROPYL)-3-((4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)METHYL)-1,3-DIHYDRO-2H-1,3-BENZIMIDAZOL-2-ONE
| Molecular Formula | C21H22Cl2F3N5O |
|---|---|
| Molecular Weight | 487.12 g/mol |
| LogP | 4.2788 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.11536 |
| Heavy Atoms | 32 |
| Complexity | 1152.5231 |
Chemical Identifiers
| CAS Number | 866019-79-6 |
|---|---|
| SMILES | C1CN(CCN1CN2C3=CC=CC=C3N(C2=O)CCCCl)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
4X-0297 (CAS 866019-79-6), with molecular formula C21H22Cl2F3N5O and molecular weight 487.12 g/mol. IUPAC: 1-(3-chloropropyl)-3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazol-2-one.
Chemical Property Profile of 4X-0297
Property Insights of 4X-0297
The XLogP value of 4.2788 indicates that 4X-0297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 4X-0297 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4X-0297 has 0 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 4X-0297?
The CAS number of 4X-0297 is 866019-79-6.
What is the molecular formula of 4X-0297?
The molecular formula of 4X-0297 is C21H22Cl2F3N5O.
What is the molecular weight of 4X-0297?
The molecular weight of 4X-0297 is 487.12 g/mol.
Where can I buy 4X-0297?
You can request a quote for 4X-0297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4X-0297?
Yes, KEHONG BIO provides custom synthesis services for 4X-0297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.