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CAS 10191-24-9 3-HYDROXYHEXANOIC ACID molecular structure lightbox
CAS RN: 10191-24-9

3-HYDROXYHEXANOIC ACID

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg In stock Shanghai, Hebei Inquiry
Batchno.20251130 100mg In stock Shanghai Inquiry
Batchno.20250603 1g In stock Shanghai, Shandong Inquiry
Batchno.20260613 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250719 250mg In stock Shanghai Inquiry
Batchno.20250113 250mg Out of stock Inquiry
Batchno.20250111 25mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS10191-24-9
  • Purity/Analytical Methods: >99.0%
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10191-24-9 / 3-hydroxyhexanoic acid

3-Hydroxyhexanoic acid | 3-Hydroxycaproic acid | 48NUX22XXO

Standard CAS: 10191-24-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10191-24-9
Multi CAS
No
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
SMILES
CCCC(CC(=O)O)O
InChI
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
HPMGFDVTYHWBAG-UHFFFAOYSA-N
Synonyms
3-Hydroxyhexanoic acid 3-Hydroxycaproic acid 48NUX22XXO FEMA NO. 5005 CHEBI:37035

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.17
TPSA
57.53

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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