ChemDiv3_007123
TL;DR: ChemDiv3_007123 (CAS 889950-39-4) is a chemical compound with molecular formula C18H20ClN2O3P and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-dihydro-1,5,3λ5-benzodioxaphosphepine 3-oxide
Also Known As: ChemDiv3_007123, IDI1_025033, BRD-K04359091-001-01-9, A3920/0166798, 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-dihydro-1,5,3
| Molecular Formula | C18H20ClN2O3P |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 4.1265 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.09 |
| Heavy Atoms | 25 |
| Complexity | 760.16315 |
Chemical Identifiers
| CAS Number | 889950-39-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)Cl)P3(=O)COC4=CC=CC=C4OC3 |
Product Overview
ChemDiv3_007123 (CAS 889950-39-4), with molecular formula C18H20ClN2O3P and molecular weight 378.09 g/mol. IUPAC: 3-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-dihydro-1,5,3λ5-benzodioxaphosphepine 3-oxide.
Chemical Property Profile of ChemDiv3_007123
Property Insights of ChemDiv3_007123
The XLogP value of 4.1265 indicates that ChemDiv3_007123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, ChemDiv3_007123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007123 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 ChemDiv3_007123?
The CAS number of ChemDiv3_007123 is 889950-39-4.
What is the molecular formula of ChemDiv3_007123?
The molecular formula of ChemDiv3_007123 is C18H20ClN2O3P.
What is the molecular weight of ChemDiv3_007123?
The molecular weight of ChemDiv3_007123 is 378.09 g/mol.
Where can I buy ChemDiv3_007123?
You can request a quote for ChemDiv3_007123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.