[email protected]
CAS 1228690-37-6 [5-(4-BroMophenyl)-3-Methylisoxazol-4-yl]carbaMic acid(R)-1-phenylethyl ester molecular structure lightbox
CAS RN: 1228690-37-6

[5-(4-BroMophenyl)-3-Methylisoxazol-4-yl]carbaMic acid(R)-1-phenylethyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026513
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: 5g
  • Available purity: ＞97%
  • 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 1228690-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1228690-37-6 / [(1R)-1-phenylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate

Standard CAS: 1228690-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228690-37-6
Multi CAS
No
Molecular Formula
C19H17BrN2O3
Molecular Weight
401.300000
Exact Mass
400.042250
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H17BrN2O3/c1-12-17(18(25-22-12)15-8-10-16(20)11-9-15)21-19(23)24-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKey
YIZLYJGOEIDGMD-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.34
TPSA
64.36

LogP / Solubility

WLOGP
5.72
MLOGP
5.06
XLogP3
4.6
Consensus LogP
5.13
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us