[email protected]
CAS 133812-16-5 (S)-(+)-4-BENZYL-3-CROTONYL-2-OXAZOLIDI& molecular structure lightbox
CAS RN: 133812-16-5

(S)-(+)-4-BENZYL-3-CROTONYL-2-OXAZOLIDI&

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260607 100mg In stock Shanghai Inquiry
Batchno.20251110 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250318 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250601 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251103 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS133812-16-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

133812-16-5 / 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one

Standard CAS: 133812-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133812-16-5
Multi CAS
No
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
SMILES
C/C=C/C(=O)N1C(COC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H15NO3/c1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+
InChIKey
UTZAFVPPWUIPBH-QHHAFSJGSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
66.94
TPSA
46.61

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.5
Consensus LogP
2.18
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us