[email protected]
CAS 55944-70-2 7-Chloro-1-Heptanol molecular structure lightbox
CAS RN: 55944-70-2

7-Chloro-1-Heptanol

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250919 250mg In stock Inquiry
Batchno.20251105 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 1g Out of stock 5-7 business days Inquiry
Batchno.20260327 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS55944-70-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55944-70-2 / 7-chloroheptan-1-ol

Standard CAS: 55944-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55944-70-2
Multi CAS
Yes
Molecular Formula
C7H15CLO
Molecular Weight
150.640000
Exact Mass
150.081143
InChI
InChI=1S/C7H15ClO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
DPNLUCKAZIFDLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.89
TPSA
20.23

LogP / Solubility

WLOGP
2.17
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.1

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
1.5

Customers Also Viewed

Get In Touch

Contact Us