[email protected]
CAS 1447715-45-8 N-(2-hydroxy-3-(4-((2-isopropoxyethoxy)methyl)phenoxy)propyl) -N-isopropylformamide molecular structure lightbox
CAS RN: 1447715-45-8

N-(2-hydroxy-3-(4-((2-isopropoxyethoxy)methyl)phenoxy)propyl) -N-isopropylformamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1447715-45-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1447715-45-8 / N-[2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-N-propan-2-ylformamide

Standard CAS: 1447715-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1447715-45-8
Multi CAS
No
Molecular Formula
C19H31NO5
Molecular Weight
353.500000
Exact Mass
353.220223
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)COCCOC(C)C)O)C=O
InChI
InChI=1S/C19H31NO5/c1-15(2)20(14-21)11-18(22)13-25-19-7-5-17(6-8-19)12-23-9-10-24-16(3)4/h5-8,14-16,18,22H,9-13H2,1-4H3
InChIKey
XLTMWMPSNKDLCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.59
TPSA
68.23

LogP / Solubility

WLOGP
2.23
MLOGP
1.98
XLogP3
1.8
Consensus LogP
2
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us