![CAS 15448-76-7 DiMethyl bicyclo[2.2.1]heptane-1,4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15448-76-7.gif)
CAS RN: 15448-76-7
DiMethyl bicyclo[2.2.1]heptane-1,4-carboxylate
- Product code: SSC-063781
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 1 In Stock | Beijing | Inquiry |
15448-76-7 / dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate
Basic Information
CAS
15448-76-7
Multi CAS
No
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
SMILES
COC(=O)C12CCC(C1)(CC2)C(=O)OC
InChI
InChI=1S/C11H16O4/c1-14-8(12)10-3-5-11(7-10,6-4-10)9(13)15-2/h3-7H2,1-2H3
InChIKey
UBGSPDWVUMFEAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.98
TPSA
52.6
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylicacid
- CAS RN: 15448-77-8
- Product Code: SSC-063782
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![CAS 15448-77-8 4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15448-77-8.gif)
