CAS RN: 938-67-0
1-Propanone, 1-(3-chloro-2-hydroxyphenyl)-
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.20251115 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS938-67-0
- Purity/Analytical Methods: >99.0%
938-67-0 / 3-chloro-2-hydroxy-1-phenylpropan-1-one
Basic Information
CAS
938-67-0
Multi CAS
Yes
Molecular Formula
C9H9CLO2
Molecular Weight
184.620000
Exact Mass
184.029107
InChI
InChI=1S/C9H9ClO2/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKey
IBVBIEONNVPAHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.5
TPSA
37.3
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-2.8
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
2
Customers Also Viewed
-
-
1-METHYLGUANINE
- CAS RN: 938-85-2
- Product Code: starshine_CAS938-85-2
- Purity/Analytical method: >99.0%
-
-
-
-
3(2H)-Isoxazolone,5-phenyl-(9CI)
- CAS RN: 939-05-9
- Product Code: starshine_CAS939-05-9
- Purity/Analytical method: >99.0%
