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CAS 2165947-34-0 (R)-2-((tert-butoxycarbonyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid molecular structure lightbox
CAS RN: 2165947-34-0

(R)-2-((tert-butoxycarbonyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251104 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-103864
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2165947-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

2165947-34-0 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-methylpyrazol-4-yl)acetic acid

Standard CAS: 2165947-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2165947-34-0
Multi CAS
No
Molecular Formula
C11H17N3O4
Molecular Weight
255.270000
Exact Mass
255.121906
SMILES
CC(C)(C)OC(=O)N[C@H](C1=CN(N=C1)C)C(=O)O
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-5-12-14(4)6-7/h5-6,8H,1-4H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKey
NHJNTMKOTDIQMP-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.95
TPSA
93.45

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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