CAS RN: 26040-62-0
Methyl 7-chloroheptanoate
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.20260608 | 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS26040-62-0
- Purity/Analytical Methods: >99.0%
26040-62-0 / methyl 7-chloroheptanoate
Basic Information
CAS
26040-62-0
Multi CAS
No
Molecular Formula
C8H15ClO2
Molecular Weight
178.650000
Exact Mass
178.076057
SMILES
COC(=O)CCCCCCCl
InChI
InChI=1S/C8H15ClO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3
InChIKey
YKSFGXAJDCLJKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
45.82
TPSA
26.3
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.7
Consensus LogP
2.37
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
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)
-2.14
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
-
-
-
PLANTAGININ
- CAS RN: 26046-94-6
- Product Code: starshine_CAS26046-94-6
- Purity/Analytical method: >99.0%
-
BEAUVERICIN
- CAS RN: 26048-05-5
- Product Code: starshine_CAS26048-05-5
- Purity/Analytical method: >99.0%
-
-
1-METHOXY-4-(1-PHENYL-ETHYL)-BENZENE
- CAS RN: 2605-18-7
- Product Code: starshine_CAS2605-18-7
- Purity/Analytical method: >99.0%
