CAS RN: 15600-32-5
1-Phenylethyl chloroformate
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.20260521 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS15600-32-5
- Purity/Analytical Methods: >99.0%
15600-32-5 / 1-phenylethyl carbonochloridate
Basic Information
CAS
15600-32-5
Multi CAS
No
Molecular Formula
C9H9ClO2
Molecular Weight
184.620000
Exact Mass
184.029107
SMILES
CC(C1=CC=CC=C1)OC(=O)Cl
InChI
InChI=1S/C9H9ClO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
PSODYUROWJSUIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.19
TPSA
26.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.1
Consensus LogP
2.99
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-1.63
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
Customers Also Viewed
-
2-methyl-3-oxo-3-(phenylamino)propanoic acid
- CAS RN: 15601-92-0
- Product Code: starshine_CAS15601-92-0
- Purity/Analytical method: >99.0%
-
cis-Bis(triphenylphosphine)platinum(II) chloride
- CAS RN: 15604-36-1
- Product Code: SSC-065207
-
Rhodium tribromide
- CAS RN: 15608-29-4
- Product Code: starshine_CAS15608-29-4
- Purity/Analytical method: >99.0%
-
HolMiuM(III) sulfate hydrate
- CAS RN: 15622-40-9
- Product Code: starshine_CAS15622-40-9
- Purity/Analytical method: >99.0%
-
MOLINDONE HYDROCHLORIDE (500 MG)
- CAS RN: 15622-65-8
- Product Code: starshine_CAS15622-65-8
- Purity/Analytical method: >99.0%
-
1H-1,2,4-Triazole,1-acetyl-(6CI,7CI,8CI,9CI)
- CAS RN: 15625-88-4
- Product Code: starshine_CAS15625-88-4
- Purity/Analytical method: >99.0%
