[email protected]
CAS 10371-45-6 sec-Butyl Crotonate molecular structure lightbox
CAS RN: 10371-45-6

sec-Butyl Crotonate

  • Product code: SSC-005301
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: 25ml
  • 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 10371-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥97% 0 Out of Stock Hong Kong Inquiry

10371-45-6 / butan-2-yl (E)-but-2-enoate

SCHEMBL1881287 | SCHEMBL22654585 | SCHEMBL28278510

Standard CAS: 10371-45-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10371-45-6
Multi CAS
Yes
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
CCC(C)OC(=O)/C=C/C
InChI
InChI=1S/C8H14O2/c1-4-6-8(9)10-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
InChIKey
KAKJZWSUVDRWQU-GQCTYLIASA-N
Synonyms
SCHEMBL1881287 SCHEMBL22654585 SCHEMBL28278510

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
40.66
TPSA
26.3

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
2.5
Consensus LogP
2.02
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Customers Also Viewed

Get In Touch

Contact Us