![CAS 1256276-95-5 (1S,2R,3R,4R)-3-(methoxycarbonyl)spiro[bicyclo[2.2.1]heptane-7,1′-cyclopropane]-2-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256276-95-5.gif)
CAS RN: 1256276-95-5
(1S,2R,3R,4R)-3-(methoxycarbonyl)spiro[bicyclo[2.2.1]heptane-7,1′-cyclopropane]-2-carboxylicacid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-030403
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1256276-95-5 / (1S,2R,3R,4R)-3-methoxycarbonylspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxylic acid
Basic Information
CAS
1256276-95-5
Multi CAS
No
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)O)C23CC3
InChI
InChI=1S/C12H16O4/c1-16-11(15)9-7-3-2-6(8(9)10(13)14)12(7)4-5-12/h6-9H,2-5H2,1H3,(H,13,14)/t6-,7+,8+,9+/m0/s1
InChIKey
KXRWQFPKBCDLIB-JQCXWYLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.51
TPSA
63.6
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
1.7
Consensus LogP
1.38
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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