[email protected]
CAS 81479-48-3 (5-tert-butyl-isoxazol-3-yl)-carbaMic acid phenyl ester, (5-tert-butylisoxazol-3-yl)carbaMic acid phenyl ester molecular structure lightbox
CAS RN: 81479-48-3

(5-tert-butyl-isoxazol-3-yl)-carbaMic acid phenyl ester, (5-tert-butylisoxazol-3-yl)carbaMic acid phenyl ester

  • Product code: SSC-189911
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 81479-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

81479-48-3 / phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

Standard CAS: 81479-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81479-48-3
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
InChI
InChI=1S/C14H16N2O3/c1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16,17)
InChIKey
FGUDMROYDQCCNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.29
TPSA
64.36

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.5
Consensus LogP
3.41
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us