CP-199,331
TL;DR: CP-199,331 (CAS 158102-93-3) is a chemical compound with molecular formula C26H21F5N2O6S2 and molecular weight 616.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[(3R,4R)-6-[(5,6-difluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
Also Known As: CP-199,331, CP 199331, CP 199,331, SID:96099910, J1.185.771J
| Molecular Formula | C26H21F5N2O6S2 |
|---|---|
| Molecular Weight | 616.08 g/mol |
| LogP | 5.7083 |
| Topological Polar Surface Area | 106.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 616.0761 |
| Heavy Atoms | 41 |
| Complexity | 1671.7483 |
Chemical Identifiers
| CAS Number | 158102-93-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NS(=O)(=O)C(F)(F)F)C[C@@H]2COC3=C([C@@H]2O)C=C(C=C3)OCC4=NC5=CC(=C(C=C5S4)F)F |
Product Overview
CP-199,331 (CAS 158102-93-3), with molecular formula C26H21F5N2O6S2 and molecular weight 616.08 g/mol. IUPAC: N-[3-[[(3R,4R)-6-[(5,6-difluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide.
Chemical Property Profile of CP-199,331
Property Insights of CP-199,331
The XLogP value of 5.7083 indicates that CP-199,331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CP-199,331. Following Lipinski's Rule of Five, CP-199,331 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CP-199,331?
The CAS number of CP-199,331 is 158102-93-3.
What is the molecular formula of CP-199,331?
The molecular formula of CP-199,331 is C26H21F5N2O6S2.
What is the molecular weight of CP-199,331?
The molecular weight of CP-199,331 is 616.08 g/mol.
Where can I buy CP-199,331?
You can request a quote for CP-199,331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CP-199,331?
Yes, KEHONG BIO provides custom synthesis services for CP-199,331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.