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CAS 877977-33-8 1-(2-CHLORO-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 877977-33-8

1-(2-CHLORO-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 1g / 5g / 10g Out of stock 1 business days Inquiry
  • Product code: SSC-198094
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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 877977-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

877977-33-8 / 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylic acid

Standard CAS: 877977-33-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877977-33-8
Multi CAS
No
Molecular Formula
C11H9CLN2O2
Molecular Weight
236.650000
Exact Mass
236.035255
InChI
InChI=1S/C11H9ClN2O2/c12-10-4-2-1-3-8(10)6-14-7-9(5-13-14)11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKey
CUDHNDFUGXHTRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.74
TPSA
55.12

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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