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CAS 76188-95-9 (R)-5-CHLORO-2-PENTANOL molecular structure lightbox
CAS RN: 76188-95-9

(R)-5-CHLORO-2-PENTANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS76188-95-9
  • Purity/Analytical Methods: >99.0%
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76188-95-9 / 5-chloropentan-2-ol

Standard CAS: 76188-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76188-95-9
Multi CAS
Yes
Molecular Formula
C5H11CLO
Molecular Weight
122.590000
Exact Mass
122.049843
InChI
InChI=1S/C5H11ClO/c1-5(7)3-2-4-6/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKey
FLSMMDCDBMBKCE-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.63
TPSA
20.23

LogP / Solubility

WLOGP
1.39
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.48

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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