CBKinase1_006971
TL;DR: CBKinase1_006971 (CAS 701931-60-4) is a chemical compound with molecular formula C21H18BrFO5 and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid
Also Known As: CBKinase1_006971, CBKinase1_019371, EiM07-28295, 3-{7-[(4-bromo-2-fluorobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid, 3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid
| Molecular Formula | C21H18BrFO5 |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 4.90764 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.03217 |
| Heavy Atoms | 28 |
| Complexity | 1119.9595 |
Chemical Identifiers
| CAS Number | 701931-60-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)Br)F)CCC(=O)O |
Product Overview
CBKinase1_006971 (CAS 701931-60-4), with molecular formula C21H18BrFO5 and molecular weight 448.03 g/mol. IUPAC: 3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid.
Chemical Property Profile of CBKinase1_006971
Property Insights of CBKinase1_006971
The XLogP value of 4.90764 indicates that CBKinase1_006971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006971. Following Lipinski's Rule of Five, CBKinase1_006971 has 1 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 CBKinase1_006971?
The CAS number of CBKinase1_006971 is 701931-60-4.
What is the molecular formula of CBKinase1_006971?
The molecular formula of CBKinase1_006971 is C21H18BrFO5.
What is the molecular weight of CBKinase1_006971?
The molecular weight of CBKinase1_006971 is 448.03 g/mol.
Where can I buy CBKinase1_006971?
You can request a quote for CBKinase1_006971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006971?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.