CI 1030
TL;DR: CI 1030 (CAS 3778-25-4) is a chemical compound with molecular formula C19H20ClN3O2 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
Also Known As: CI 1030, PD 172760, J1.250.430F, 7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-((4-(4-chlorophenyl)-1-piperazinyl)methyl)-
| Molecular Formula | C19H20ClN3O2 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 2.9931 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1244 |
| Heavy Atoms | 25 |
| Complexity | 770.7387 |
Chemical Identifiers
| CAS Number | 3778-25-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)NC(=O)CO3)C4=CC=C(C=C4)Cl |
Product Overview
CI 1030 (CAS 3778-25-4), with molecular formula C19H20ClN3O2 and molecular weight 357.12 g/mol. IUPAC: 7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of CI 1030
Property Insights of CI 1030
The XLogP value of 2.9931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI 1030. With a topological polar surface area (TPSA) of 44.81 Ų, CI 1030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CI 1030 has 1 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 CI 1030?
The CAS number of CI 1030 is 3778-25-4.
What is the molecular formula of CI 1030?
The molecular formula of CI 1030 is C19H20ClN3O2.
What is the molecular weight of CI 1030?
The molecular weight of CI 1030 is 357.12 g/mol.
Where can I buy CI 1030?
You can request a quote for CI 1030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 1030?
Yes, KEHONG BIO provides custom synthesis services for CI 1030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.