[email protected]
CAS 101471-73-2 Methyl (E)-3-Morpholinoacrylate molecular structure lightbox
CAS RN: 101471-73-2

Methyl (E)-3-Morpholinoacrylate

  • Product code: SSC-002308
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 101471-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101471-73-2 / methyl (E)-3-morpholin-4-ylprop-2-enoate

methyl 3-morpholinoacrylate | METHYL (2E)-3-(MORPHOLIN-4-YL)PROP-2-ENOATE | methyl 3-(morpholin-4-yl)prop-2-enoate

Standard CAS: 101471-73-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101471-73-2
Multi CAS
Yes
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
SMILES
COC(=O)/C=C/N1CCOCC1
InChI
InChI=1S/C8H13NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChIKey
XFGDIQBAFODGRV-NSCUHMNNSA-N
Synonyms
methyl 3-morpholinoacrylate METHYL (2E)-3-(MORPHOLIN-4-YL)PROP-2-ENOATE methyl 3-(morpholin-4-yl)prop-2-enoate 2-Propenoic acid,3-(4-morpholinyl)-, methyl ester SCHEMBL1219862

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
43.55
TPSA
38.77

LogP / Solubility

WLOGP
0.01
XLogP3
0.1
Consensus LogP
0.04
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.76

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
1.5

Customers Also Viewed

Get In Touch

Contact Us