CBKinase1_005718
TL;DR: CBKinase1_005718 (CAS 646994-63-0) is a chemical compound with molecular formula C15H17BrN4O2 and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenoxy)methyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile
Also Known As: CBKinase1_005718, CBKinase1_018118, BRD-K50708014-001-01-4, 2-[(4-bromophenoxy)methyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile, 2-[(4-bromophenoxy)methyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C15H17BrN4O2 |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 2.86128 |
| Topological Polar Surface Area | 74.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.0535 |
| Heavy Atoms | 22 |
| Complexity | 646.5523 |
Chemical Identifiers
| CAS Number | 646994-63-0 |
|---|---|
| SMILES | CN(C)CCNC1=C(N=C(O1)COC2=CC=C(C=C2)Br)C#N |
Product Overview
CBKinase1_005718 (CAS 646994-63-0), with molecular formula C15H17BrN4O2 and molecular weight 364.05 g/mol. IUPAC: 2-[(4-bromophenoxy)methyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of CBKinase1_005718
Property Insights of CBKinase1_005718
The XLogP value of 2.86128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005718. The TPSA of 74.32 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005718. Following Lipinski's Rule of Five, CBKinase1_005718 has 1 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 CBKinase1_005718?
The CAS number of CBKinase1_005718 is 646994-63-0.
What is the molecular formula of CBKinase1_005718?
The molecular formula of CBKinase1_005718 is C15H17BrN4O2.
What is the molecular weight of CBKinase1_005718?
The molecular weight of CBKinase1_005718 is 364.05 g/mol.
Where can I buy CBKinase1_005718?
You can request a quote for CBKinase1_005718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005718?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.