[email protected]
CAS 402755-64-0 (S)-4-Phenyl-2-(2-((S)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 402755-64-0

(S)-4-Phenyl-2-(2-((S)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 100mg In stock Tianjin Inquiry
Batchno.20250816 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260515 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250620 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250420 5g Out of stock Inquiry
GET A QUOTE

402755-64-0 / (4S)-2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(S)-4-Phenyl-2-(2-((S)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole | (S)-4-Phenyl-2-(2-((R)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole | MFCD34602298

Standard CAS: 402755-64-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
402755-64-0
Multi CAS
Yes
Molecular Formula
C22H19NO2S
Molecular Weight
361.500000
Exact Mass
361.113650
SMILES
CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2C3=NC(CO3)C4=CC=CC=C4
InChI
InChI=1S/C22H19NO2S/c1-16-11-13-18(14-12-16)26(24)21-10-6-5-9-19(21)22-23-20(15-25-22)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3/t20-,26?/m1/s1
InChIKey
DAFPBDIGMMUDMU-TUHVGIAZSA-N
Synonyms
(S)-4-Phenyl-2-(2-((S)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole (S)-4-Phenyl-2-(2-((R)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole MFCD34602298 (S)-4-Phenyl-2-[2-[(S)-p-tolylsulfinyl]phenyl]-4,5-dihydrooxazole SCHEMBL20906460

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
103.97
TPSA
38.66

LogP / Solubility

WLOGP
4.68
MLOGP
4.14
XLogP3
4.3
Consensus LogP
4.37
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us