[email protected]
CAS 112709-60-1 D(+)-VESAMICOL HYDROCHLORIDE molecular structure lightbox
CAS RN: 112709-60-1

D(+)-VESAMICOL HYDROCHLORIDE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS112709-60-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

112709-60-1 / trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride

(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol | RefChem:394000 | CHEMBL277861

Standard CAS: 112709-60-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112709-60-1
Multi CAS
Yes
Molecular Formula
C17H26ClNO
Molecular Weight
295.800000
Exact Mass
295.170292
SMILES
C1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O.Cl
InChI
InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1
InChIKey
YSSBJODGIYRAMI-IRXDYDNUSA-N
Synonyms
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol RefChem:394000 CHEMBL277861 D-(+)-Vesamicol hydrochloride A1LWL

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.5
TPSA
23.47

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
3.59
Consensus LogP
3.45
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us