RefChem:256415
TL;DR: RefChem:256415 (CAS 13451-77-9) is a chemical compound with molecular formula C15H23Cl2N3O2 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one;dihydrochloride
Also Known As: 2-Benzoxazolinone, 3-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride, hydrate, 3-(3-(4-Methyl-1-piperazinyl)propyl)-2-benzoxazolinone dihydrochloride hydrate, 3-[3-(4-Methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-onedihydrochloride, 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one dihydrochloride, 3-[3-(4-Methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2(3H)-one--hydrogen chloride (1/2)
| Molecular Formula | C15H23Cl2N3O2 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 2.08 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11673 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 13451-77-9 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C3=CC=CC=C3OC2=O.Cl.Cl |
| InChIKey | XLIDLRIDOOTOJN-UHFFFAOYSA-N |
Product Overview
RefChem:256415 (CAS 13451-77-9), with molecular formula C15H23Cl2N3O2 and molecular weight 347.12 g/mol. IUPAC: 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one;dihydrochloride.
Chemical Property Profile of RefChem:256415
Property Insights of RefChem:256415
The XLogP value of 2.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:256415. With a topological polar surface area (TPSA) of 36.0 Ų, RefChem:256415 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:256415 has 2 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 RefChem:256415?
The CAS number of RefChem:256415 is 13451-77-9.
What is the molecular formula of RefChem:256415?
The molecular formula of RefChem:256415 is C15H23Cl2N3O2.
What is the molecular weight of RefChem:256415?
The molecular weight of RefChem:256415 is 347.12 g/mol.
Where can I buy RefChem:256415?
You can request a quote for RefChem:256415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:256415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:256415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.