RefChem:256423
TL;DR: RefChem:256423 (CAS 59384-77-9) is a chemical compound with molecular formula C16H23Cl2N3O3 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-[3-(4-methylpiperazin-1-yl)propanoyl]-1,3-benzoxazol-2-one;dihydrochloride
Also Known As: 2-Benzoxazolinone, 3-methyl-6-(3-(4-methyl-1-piperazinyl)propionyl)-, dihydrochloride, 3-Methyl-6-(3-(4-methyl-1-piperazinyl)propionyl)-2-benzoxazolinone dihydrochloride, 3-Methyl-6-[3-(4-methylpiperazin-1-yl)propanoyl]-1,3-benzoxazol-2-onedihydrochloride, 3-methyl-6-[3-(4-methylpiperazin-1-yl)propanoyl]-1,3-benzoxazol-2-one dihydrochloride, 2(3H)-Benzoxazolone, 3-methyl-6-[3-(4-methyl-1-piperazinyl)-1-oxopropyl]-, dihydrochloride
| Molecular Formula | C16H23Cl2N3O3 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.11163 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 59384-77-9 |
|---|---|
| SMILES | CN1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)N(C(=O)O3)C.Cl.Cl |
| InChIKey | BVMARGKVBPFZCX-UHFFFAOYSA-N |
Product Overview
RefChem:256423 (CAS 59384-77-9), with molecular formula C16H23Cl2N3O3 and molecular weight 375.11 g/mol. IUPAC: 3-methyl-6-[3-(4-methylpiperazin-1-yl)propanoyl]-1,3-benzoxazol-2-one;dihydrochloride.
Chemical Property Profile of RefChem:256423
Property Insights of RefChem:256423
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:256423. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:256423 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:256423 has 2 hydrogen bond donor(s) and 5 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 RefChem:256423?
The CAS number of RefChem:256423 is 59384-77-9.
What is the molecular formula of RefChem:256423?
The molecular formula of RefChem:256423 is C16H23Cl2N3O3.
What is the molecular weight of RefChem:256423?
The molecular weight of RefChem:256423 is 375.11 g/mol.
Where can I buy RefChem:256423?
You can request a quote for RefChem:256423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:256423?
Yes, KEHONG BIO provides custom synthesis services for RefChem:256423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.