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
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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 | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1877329-24-2 / [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-2-methylazetidine
Basic Information
CAS
1877329-24-2
Multi CAS
No
Molecular Formula
C14H25NO4S
Molecular Weight
303.420000
Exact Mass
303.150429
SMILES
C[C@H]1CCN1.CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C
InChI
InChI=1S/C10H16O4S.C4H9N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-4-2-3-5-4/h7H,3-6H2,1-2H3,(H,12,13,14);4-5H,2-3H2,1H3/t7-,10-;4-/m00/s1
InChIKey
KGZFOZKAGZDAAM-MQLZJFRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.06
TPSA
83.47
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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