CBKinase1_000990
TL;DR: CBKinase1_000990 (CAS 330833-45-9) is a chemical compound with molecular formula C15H11BrN2O4S and molecular weight 393.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: CBKinase1_000990, CBKinase1_013390, BRD-K76666190-001-01-0, methyl 5-({[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl)thio)methyl)furan-2-carboxylate
| Molecular Formula | C15H11BrN2O4S |
|---|---|
| Molecular Weight | 393.96 g/mol |
| LogP | 4.171 |
| Topological Polar Surface Area | 78.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.96228 |
| Heavy Atoms | 23 |
| Complexity | 830.25854 |
Chemical Identifiers
| CAS Number | 330833-45-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NN=C(O2)C3=CC(=CC=C3)Br |
Product Overview
CBKinase1_000990 (CAS 330833-45-9), with molecular formula C15H11BrN2O4S and molecular weight 393.96 g/mol. IUPAC: methyl 5-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of CBKinase1_000990
Property Insights of CBKinase1_000990
The XLogP value of 4.171 indicates that CBKinase1_000990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000990. Following Lipinski's Rule of Five, CBKinase1_000990 has 0 hydrogen bond donor(s) and 7 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_000990?
The CAS number of CBKinase1_000990 is 330833-45-9.
What is the molecular formula of CBKinase1_000990?
The molecular formula of CBKinase1_000990 is C15H11BrN2O4S.
What is the molecular weight of CBKinase1_000990?
The molecular weight of CBKinase1_000990 is 393.96 g/mol.
Where can I buy CBKinase1_000990?
You can request a quote for CBKinase1_000990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000990?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.