CAS RN: 4737-41-1
3-(CHLOROMETHYL)PENTANE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 25ml | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4737-41-1
- Purity/Analytical Methods: >99.0%
4737-41-1 / 3-(chloromethyl)pentane
Basic Information
CAS
4737-41-1
Multi CAS
No
Molecular Formula
C6H13CL
Molecular Weight
120.620000
Exact Mass
120.070578
InChI
InChI=1S/C6H13Cl/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3
InChIKey
PQHNRODYYLFLRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
34.79
TPSA
0.0000
LogP / Solubility
WLOGP
2.66
MLOGP
2.33
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-1.57
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
-
3-Methylthiolane
- CAS RN: 4740-00-5
- Product Code: starshine_CAS4740-00-5
- Purity/Analytical method: >99.0%
-
-
2-HYDRAZINO-2-OXO-N-PHENYLACETAMIDE
- CAS RN: 4740-46-9
- Product Code: starshine_CAS4740-46-9
- Purity/Analytical method: >99.0%
-
-
-
![CAS 4741-42-8 Furo[3,4-c]pyridin-1(3h)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4741-42-8.gif)
