![CAS 29690-82-2 POLY[(O-CRESYL GLYCIDYL ETHER)-CO-FORMALDEHYDE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29690-82-2.gif)
CAS RN: 29690-82-2
POLY[(O-CRESYL GLYCIDYL ETHER)-CO-FORMALDEHYDE]
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS29690-82-2
- Purity/Analytical Methods: >99.0%
29690-82-2 / 2-(chloromethyl)oxirane;formaldehyde;2-methylphenol
Basic Information
CAS
29690-82-2
Multi CAS
No
Molecular Formula
C11H15CLO3
Molecular Weight
230.690000
Exact Mass
230.070972
InChI
InChI=1S/C7H8O.C3H5ClO.CH2O/c1-6-4-2-3-5-7(6)8;4-1-3-2-5-3;1-2/h2-5,8H,1H3;3H,1-2H2;1H2
InChIKey
XRYDVSRMOIMZGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.42
TPSA
49.83
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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