CAS RN: 57045-82-6
Nonyl Chloroformate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 5ml | In stock | Shanghai | Inquiry |
- Product code: ICTB0262
- Purity/Analytical Methods: >95.0%(T)
57045-82-6 / nonyl carbonochloridate
Basic Information
CAS
57045-82-6
Multi CAS
No
Molecular Formula
C10H19CLO2
Molecular Weight
206.710000
Exact Mass
206.107358
InChI
InChI=1S/C10H19ClO2/c1-2-3-4-5-6-7-8-9-13-10(11)12/h2-9H2,1H3
InChIKey
VKOFPDUSOTWTPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
55.19
TPSA
26.3
LogP / Solubility
WLOGP
4.11
MLOGP
3.62
XLogP3
5
Consensus LogP
4.24
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
