[email protected]
CAS 99212-19-8 (S)-5-CHLORO-2-PENTANOL molecular structure lightbox
CAS RN: 99212-19-8

(S)-5-CHLORO-2-PENTANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS99212-19-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

99212-19-8 / (2S)-5-chloropentan-2-ol

Standard CAS: 99212-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99212-19-8
Multi CAS
No
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-/m0/s1
InChIKey
FLSMMDCDBMBKCE-YFKPBYRVSA-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

Customers Also Viewed

Get In Touch

Contact Us