[email protected]
CAS 65921-65-5 5-iodo-1-pentanol acetate molecular structure lightbox
CAS RN: 65921-65-5

5-iodo-1-pentanol acetate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS65921-65-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

65921-65-5 / 5-iodopentyl acetate

Standard CAS: 65921-65-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65921-65-5
Multi CAS
Yes
Molecular Formula
C7H13IO2
Molecular Weight
256.080000
Exact Mass
255.996030
InChI
InChI=1S/C5H11IO.C2H4O2/c6-4-2-1-3-5-7;1-2(3)4/h7H,1-5H2;1H3,(H,3,4)
InChIKey
KAYLWGPSLZQHDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
49.37
TPSA
26.3

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
3.1
Consensus LogP
2.38
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us