(+)-Cp 85958
TL;DR: (+)-Cp 85958 (CAS 134002-60-1) is a chemical compound with molecular formula C25H20FNO5S and molecular weight 465.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(3R,4R)-6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid
Also Known As: (+)-Cp 85958, Tox21_300460, Benzoic acid, 3-(((3R,4R)-6-((5-fluoro-2-benzothiazolyl)methoxy)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl)methyl)-, CAS-134002-60-1, J1.185.773F
| Molecular Formula | C25H20FNO5S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 4.9973 |
| Topological Polar Surface Area | 88.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.1046 |
| Heavy Atoms | 33 |
| Complexity | 1337.6339 |
Chemical Identifiers
| CAS Number | 134002-60-1 |
|---|---|
| SMILES | C1[C@H]([C@H](C2=C(O1)C=CC(=C2)OCC3=NC4=C(S3)C=CC(=C4)F)O)CC5=CC(=CC=C5)C(=O)O |
Product Overview
(+)-Cp 85958 (CAS 134002-60-1), with molecular formula C25H20FNO5S and molecular weight 465.10 g/mol. IUPAC: 3-[[(3R,4R)-6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid.
Chemical Property Profile of (+)-Cp 85958
Property Insights of (+)-Cp 85958
The XLogP value of 4.9973 indicates that (+)-Cp 85958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Cp 85958. Following Lipinski's Rule of Five, (+)-Cp 85958 has 2 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 (+)-Cp 85958?
The CAS number of (+)-Cp 85958 is 134002-60-1.
What is the molecular formula of (+)-Cp 85958?
The molecular formula of (+)-Cp 85958 is C25H20FNO5S.
What is the molecular weight of (+)-Cp 85958?
The molecular weight of (+)-Cp 85958 is 465.10 g/mol.
Where can I buy (+)-Cp 85958?
You can request a quote for (+)-Cp 85958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Cp 85958?
Yes, KEHONG BIO provides custom synthesis services for (+)-Cp 85958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.