CAS RN: 14347-83-2
(R)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-054920
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
14347-83-2 / (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
Basic Information
CAS
14347-83-2
Multi CAS
No
Molecular Formula
C13H18O3
Molecular Weight
222.280000
Exact Mass
222.125594
SMILES
CC1(OC[C@H](O1)COCC2=CC=CC=C2)C
InChI
InChI=1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m1/s1
InChIKey
DBFDSKSLTCMIPB-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
61
TPSA
27.69
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
1.8
Consensus LogP
2.07
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 125995-13-3 tert-Butyl 2-[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3702-jpgcontextbwfzdgvyfhjvb3r8mjkzntl8aw1hz2uvanblz3xoyzavagqylzg5mjg5odazmdm5mdivqjm3mdiuanbnfgviyjyxythingviytgxzji4ngrlnmm2mzrimme4nwmyzjiwodg1odm1ytuzytvkymfmndziyzixztnjzwe2njq.jpeg)
