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CAS 882073-43-0 Nonitol, 1,2,3-trideoxy-4,6:5,7-bis-O-[(4-propylphenyl)methylene] molecular structure lightbox
CAS RN: 882073-43-0

Nonitol, 1,2,3-trideoxy-4,6:5,7-bis-O-[(4-propylphenyl)methylene]

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS882073-43-0
  • Purity/Analytical Methods: >99.0%
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882073-43-0 / 1-[8-propyl-2,6-bis(4-propylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

Standard CAS: 882073-43-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
882073-43-0
Multi CAS
No
Molecular Formula
C29H40O6
Molecular Weight
484.600000
Exact Mass
484.282489
InChI
InChI=1S/C29H40O6/c1-4-7-19-10-14-21(15-11-19)28-32-24(9-6-3)26-27(35-28)25(23(31)18-30)33-29(34-26)22-16-12-20(8-5-2)13-17-22/h10-17,23-31H,4-9,18H2,1-3H3
InChIKey
PIYNPBVOTLQBTC-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder; Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
133.85
TPSA
77.38

LogP / Solubility

WLOGP
5.01
MLOGP
4.44
XLogP3
5.3
Consensus LogP
4.92
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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