CAS RN: 5699-78-5
5-METHYLHEXANOYL CHLORIDE
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.20250118 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5699-78-5
- Purity/Analytical Methods: >99.0%
5699-78-5 / 5-methylhexanoyl chloride
Basic Information
CAS
5699-78-5
Multi CAS
No
Molecular Formula
C7H13CLO
Molecular Weight
148.630000
Exact Mass
148.065493
InChI
InChI=1S/C7H13ClO/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3
InChIKey
HLDHFOCXVJJMBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
39.55
TPSA
17.07
LogP / Solubility
WLOGP
2.58
MLOGP
2.26
XLogP3
2.9
Consensus LogP
2.58
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
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)
-1.8
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
-
-
1,3-diazocan-2-one
- CAS RN: 5700-13-0
- Product Code: starshine_CAS5700-13-0
- Purity/Analytical method: >99.0%
-
1-PHENYL-ETHANE-1,2-DIAMINE
- CAS RN: 5700-56-1
- Product Code: starshine_CAS5700-56-1
- Purity/Analytical method: >99.0%
-
-
-
