![CAS 887908-99-8 rac-(1S,2S,3R,4R)-3-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887908-99-8.gif)
CAS RN: 887908-99-8
rac-(1S,2S,3R,4R)-3-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
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.20260608 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-200460
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
- 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.
887908-99-8 / (1S,2S,3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Basic Information
CAS
887908-99-8
Multi CAS
Yes
Molecular Formula
C13H19NO4
Molecular Weight
253.290000
Exact Mass
253.131408
InChI
InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9+,10-/m1/s1
InChIKey
ZPMJBHUNSHDFPT-XFWSIPNHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.02
TPSA
75.63
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
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