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CAS 15687-27-1 Ibuprofen molecular structure lightbox
CAS RN: 15687-27-1

Ibuprofen

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 25g / 100g / 250g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 1ml In stock Inquiry
  • Product code: SSC-066162
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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: 100g, 25g, 5g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 15687-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g -- 3 In Stock Hong Kong Inquiry
100g >97% 3 In Stock Shenzhen Inquiry
25g -- 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shanghai Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
500g -- 0 Out of Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

15687-27-1 / 2-[4-(2-methylpropyl)phenyl]propanoic acid

Standard CAS: 15687-27-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15687-27-1
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKey
HEFNNWSXXWATRW-UHFFFAOYSA-N

Physical Properties

Melting Point
75-77.5 ºC 75-77 °C 76 °C
Physical Description
Solid
Appearance
Colorless, crystalline stable solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.03
TPSA
37.3

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.8

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (72%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (70.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361 (17.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P403+P233, P405, and P501 P203, P260, P263, P264, P270, P273, P280, P301+P317, P308+P316, P318, P319, P330, P391, P405, and P501

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