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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1822467-34-4 / 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetic acid
Basic Information
CAS
1822467-34-4
Multi CAS
No
Molecular Formula
C15H14N2O4
Molecular Weight
286.280000
Exact Mass
286.095357
SMILES
C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C15H14N2O4/c18-14(19)13(12-8-4-5-9-16-12)17-15(20)21-10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,20)(H,18,19)
InChIKey
JQTFSPKCNALZLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
74.38
TPSA
88.52
LogP / Solubility
WLOGP
2.13
MLOGP
1.89
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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