[email protected]
CAS 14205-47-1 1,4-Butanediol Bis(3-aminocrotonate) molecular structure lightbox
CAS RN: 14205-47-1

1,4-Butanediol Bis(3-aminocrotonate)

  • Product code: SSC-052737
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: 25g
  • Available purity: ≥96%
  • 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 14205-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥96% 0 Out of Stock Hong Kong Inquiry

14205-47-1 / 4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate

Standard CAS: 14205-47-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14205-47-1
Multi CAS
No
Molecular Formula
C12H20N2O4
Molecular Weight
256.300000
Exact Mass
256.142307
SMILES
CC(=CC(=O)OCCCCOC(=O)C=C(C)N)N
InChI
InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3
InChIKey
DFUXQARZEWMFLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
67.04
TPSA
104.64

LogP / Solubility

WLOGP
0.58
MLOGP
0.52
XLogP3
1.7
Consensus LogP
0.93
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (76.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us