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CAS 1257877-12-5 5-(6-METHOXYNAPHTHALEN-2-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1257877-12-5

5-(6-METHOXYNAPHTHALEN-2-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-031108
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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 1257877-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1257877-12-5 / 3-(6-methoxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid

Standard CAS: 1257877-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1257877-12-5
Multi CAS
No
Molecular Formula
C15H12N2O3
Molecular Weight
268.270000
Exact Mass
268.084792
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=NNC(=C3)C(=O)O
InChI
InChI=1S/C15H12N2O3/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13-8-14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
SAWHZXBIHVSQLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.04
TPSA
75.21

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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