CAS RN: 1215109-09-3
3-methylpentyl carbonochloridate
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.20250724 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1215109-09-3
- Purity/Analytical Methods: >99.0%
1215109-09-3 / 3-methylpentyl carbonochloridate
Basic Information
CAS
1215109-09-3
Multi CAS
No
Molecular Formula
C7H13ClO2
Molecular Weight
164.630000
Exact Mass
164.060407
SMILES
CCC(C)CCOC(=O)Cl
InChI
InChI=1S/C7H13ClO2/c1-3-6(2)4-5-10-7(8)9/h6H,3-5H2,1-2H3
InChIKey
ZSEUJMFAOMCZEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
41.27
TPSA
26.3
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
3.4
Consensus LogP
2.89
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.53
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)
-1.74
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
2
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