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CAS 99902-35-9 (R)-3-hydroxy-5-phenyl-1-pentyne molecular structure lightbox
CAS RN: 99902-35-9

(R)-3-hydroxy-5-phenyl-1-pentyne

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS99902-35-9
  • Purity/Analytical Methods: >99.0%
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99902-35-9 / (3R)-5-phenylpent-1-yn-3-ol

Standard CAS: 99902-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99902-35-9
Multi CAS
No
Molecular Formula
C11H12O
Molecular Weight
160.210000
Exact Mass
160.088815
SMILES
C#C[C@@H](CCC1=CC=CC=C1)O
InChI
InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-7,11-12H,8-9H2/t11-/m0/s1
InChIKey
RGYWMXFWIZGWSF-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.6
TPSA
20.23

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
2
Consensus LogP
1.67
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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