CAS RN: 655255-06-4
3-(TERT-BUTOXYCARBONYL) AMINO-L-2-FUROIC ACID
- Product code: SSC-175180
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 | Shanghai | Inquiry |
655255-06-4 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid
Basic Information
CAS
655255-06-4
Multi CAS
No
Molecular Formula
C10H13NO5
Molecular Weight
227.210000
Exact Mass
227.079373
InChI
InChI=1S/C10H13NO5/c1-10(2,3)16-9(14)11-6-4-5-15-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey
NBZNSNPSQJFTQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.52
TPSA
88.77
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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