RefChem:1072045
TL;DR: RefChem:1072045 (CAS 36146-44-8) is a chemical compound with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-1,3-oxazolidin-2-one
Also Known As: 4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate, 2-(Hexahydro-1H-azepin-1-yl)-3-[(2-oxooxazolidin-3-yl)iminomethyl]-4H-pyrido[1,2-a]pyrimidin-4-one, 3-({[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}amino)-1,3-oxazolidin-2-one, RefChem:1072045
| Molecular Formula | C18H21N5O3 |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 1.861 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.16443 |
| Heavy Atoms | 26 |
| Complexity | 899.32495 |
Chemical Identifiers
| CAS Number | 36146-44-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=N/N4CCOC4=O |
Product Overview
RefChem:1072045 (CAS 36146-44-8), with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol. IUPAC: 3-[(E)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-1,3-oxazolidin-2-one.
Chemical Property Profile of RefChem:1072045
Property Insights of RefChem:1072045
The XLogP value of 1.861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072045. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072045. Following Lipinski's Rule of Five, RefChem:1072045 has 0 hydrogen bond donor(s) and 6 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:1072045?
The CAS number of RefChem:1072045 is 36146-44-8.
What is the molecular formula of RefChem:1072045?
The molecular formula of RefChem:1072045 is C18H21N5O3.
What is the molecular weight of RefChem:1072045?
The molecular weight of RefChem:1072045 is 355.16 g/mol.
Where can I buy RefChem:1072045?
You can request a quote for RefChem:1072045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072045?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.