[email protected]
CAS 144985-19-3 4-Methoxyphenyl 3-O-Allyl-β-D-galactopyranoside molecular structure lightbox
CAS RN: 144985-19-3

4-Methoxyphenyl 3-O-Allyl-β-D-galactopyranoside

  • Product code: SSC-056368
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: 5g
  • 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 144985-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

144985-19-3 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-4-prop-2-enoxyoxane-3,5-diol

Standard CAS: 144985-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144985-19-3
Multi CAS
No
Molecular Formula
C16H22O7
Molecular Weight
326.340000
Exact Mass
326.136553
SMILES
COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCC=C)O
InChI
InChI=1S/C16H22O7/c1-3-8-21-15-13(18)12(9-17)23-16(14(15)19)22-11-6-4-10(20-2)5-7-11/h3-7,12-19H,1,8-9H2,2H3/t12-,13+,14-,15+,16-/m1/s1
InChIKey
DXDVGRALJDFCOJ-DGADGQDISA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
81.32
TPSA
97.61

LogP / Solubility

WLOGP
0.08
MLOGP
0.09
XLogP3
0.5
Consensus LogP
0.22
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us