[email protected]
CAS 698350-53-7 Oxazole, 2,2′-(1-methyl-2-phenylethylidene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4’S)- molecular structure lightbox
CAS RN: 698350-53-7

Oxazole, 2,2′-(1-methyl-2-phenylethylidene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4’S)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-179607
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 698350-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

698350-53-7 / (4S)-2-[1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 698350-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
698350-53-7
Multi CAS
Yes
Molecular Formula
C21H30N2O2
Molecular Weight
342.500000
Exact Mass
342.230728
InChI
InChI=1S/C21H30N2O2/c1-14(2)17-12-24-19(22-17)21(5,11-16-9-7-6-8-10-16)20-23-18(13-25-20)15(3)4/h6-10,14-15,17-18H,11-13H2,1-5H3/t17-,18-/m1/s1
InChIKey
BBFBTUSLSAFMKW-QZTJIDSGSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
102.28
TPSA
43.18

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
4.6
Consensus LogP
4.13
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us