[email protected]
CAS 112777-67-0 (R)-(+)-1-(3′-chlorophenyl)propan-1-ol molecular structure lightbox
CAS RN: 112777-67-0

(R)-(+)-1-(3′-chlorophenyl)propan-1-ol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260506 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS112777-67-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

112777-67-0 / (1R)-1-(3-chlorophenyl)propan-1-ol

(1R)-1-(3-chlorophenyl)propan-1-ol | (R)-(+)-1-(3'-chlorophenyl)propan-1-ol | (R)-1-(3-CHLOROPHENYL)PROPAN-1-OL

Standard CAS: 112777-67-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112777-67-0
Multi CAS
Yes
Molecular Formula
C9H11ClO
Molecular Weight
170.630000
Exact Mass
170.049843
SMILES
CC[C@H](C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3/t9-/m1/s1
InChIKey
APYGJPRINQKIQF-SECBINFHSA-N
Synonyms
(1R)-1-(3-chlorophenyl)propan-1-ol (R)-(+)-1-(3'-chlorophenyl)propan-1-ol (R)-1-(3-CHLOROPHENYL)PROPAN-1-OL (R)-(+)-1-(3/'-chlorophenyl)propan-1-ol SCHEMBL3482675

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.7
TPSA
20.23

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
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)
-1.78

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] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us