[email protected]
CAS 17628-72-7 (R)-(-)-2-METHOXY-2-PHENYLETHANOL molecular structure lightbox
CAS RN: 17628-72-7

(R)-(-)-2-METHOXY-2-PHENYLETHANOL

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250829 1g In stock Shanghai Inquiry
Batchno.20250112 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS17628-72-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17628-72-7 / (2R)-2-methoxy-2-phenylethanol

Standard CAS: 17628-72-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17628-72-7
Multi CAS
No
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
SMILES
CO[C@@H](CO)C1=CC=CC=C1
InChI
InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
InChIKey
JDTUPLBMGDDPJS-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.28
TPSA
29.46

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.68

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us