[email protected]
CAS 115372-36-6 3-Hydroxy-1-methacryloyloxyadamantane (purified by sublimation) molecular structure lightbox
CAS RN: 115372-36-6

3-Hydroxy-1-methacryloyloxyadamantane (purified by sublimation)

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251217 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250330 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250726 500g In stock Shanghai Inquiry
Batchno.20251117 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 100g In stock Shanghai, Shandong Inquiry
Batchno.20260228 1g In stock Shanghai Inquiry
Batchno.20251003 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251030 5g In stock Shandong, Guangdong Inquiry
  • Product code: ICTH1689
  • Purity/Analytical Methods: >99.0%(GC)
GET A QUOTE

115372-36-6 / (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate

3-Hydroxy-1-adamantyl methacrylate | 3-hydroxy-1-methacryloyloxyadamantane | 2-Propenoic acid, 2-methyl-, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester

Standard CAS: 115372-36-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115372-36-6
Multi CAS
Yes
Molecular Formula
C14H20O3
Molecular Weight
236.310000
Exact Mass
236.141245
SMILES
CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O
InChI
InChI=1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3
InChIKey
OOIBFPKQHULHSQ-UHFFFAOYSA-N
Synonyms
3-Hydroxy-1-adamantyl methacrylate 3-hydroxy-1-methacryloyloxyadamantane 2-Propenoic acid, 2-methyl-, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester 2-Propenoic acid, 2-methyl-, 3-hydroxytricyclo(3.3.1.13,7)dec-1-yl ester RefChem:502282

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.27
TPSA
46.53

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us