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CAS 18263-25-7 2-BROMOHEXADECANOIC ACID molecular structure lightbox
CAS RN: 18263-25-7

2-BROMOHEXADECANOIC ACID

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11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 100g In stock Shandong Inquiry
Batchno.20260208 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250204 25g In stock Shanghai, Shandong Inquiry
Batchno.20250127 5g In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260107 25g In stock Shanghai Inquiry
Batchno.20260423 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 100g In stock Inquiry
Batchno.20250715 1g In stock Inquiry
Batchno.20250902 25g In stock Inquiry
Batchno.20251011 5g In stock Inquiry
  • Product code: starshine_CAS18263-25-7
  • Purity/Analytical Methods: >99.0%
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18263-25-7 / 2-bromohexadecanoic acid

Standard CAS: 18263-25-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18263-25-7
Multi CAS
No
Molecular Formula
C16H31BrO2
Molecular Weight
335.320000
Exact Mass
334.150740
SMILES
CCCCCCCCCCCCCCC(C(=O)O)Br
InChI
InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey
DPRAYRYQQAXQPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.05
TPSA
37.3

LogP / Solubility

WLOGP
5.93
MLOGP
5.23
XLogP3
7.8
Consensus LogP
6.32
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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