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CAS 10602-00-3 4-Ethynylbenzoic Acid molecular structure lightbox
CAS RN: 10602-00-3

4-Ethynylbenzoic Acid

Product Availability

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 10g Out of stock Inquiry
Batchno.20250406 1g In stock Inquiry
Batchno.20260321 250mg In stock Inquiry
Batchno.20250430 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260213 100g In stock Shanghai Inquiry
Batchno.20260427 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251019 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250820 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250518 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251227 500g In stock Shanghai Inquiry
Batchno.20260529 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-007679
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10602-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 5 In Stock Hong Kong Inquiry

10602-00-3 / 4-ethynylbenzoic acid

4-ethynylbenzoic acid | DTXSID90343433 | RefChem:522956

Standard CAS: 10602-00-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10602-00-3
Multi CAS
Yes
Molecular Formula
C9H6O2
Molecular Weight
146.140000
Exact Mass
146.036779
SMILES
C#CC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey
SJXHLZCPDZPBPW-UHFFFAOYSA-N
Synonyms
4-ethynylbenzoic acid DTXSID90343433 RefChem:522956 DTXCID90294512 800-462-0

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.34
TPSA
37.3

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
2.2
Consensus LogP
1.59
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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