CAS RN: 886-74-8
Chlorphenesin carbamate
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS886-74-8
- Purity/Analytical Methods: >99.0%
886-74-8 / [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
Basic Information
CAS
886-74-8
Multi CAS
Yes
Molecular Formula
C10H12CLNO4
Molecular Weight
245.660000
Exact Mass
245.045486
InChI
InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)
InChIKey
SKPLBLUECSEIFO-UHFFFAOYSA-N
Physical Properties
Melting Point
89-91 °C
Appearance
CRYSTALS FROM BENZENE + TOLUENE
WHITE TO OFF-WHITE POWDER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.49
TPSA
81.78
LogP / Solubility
WLOGP
1.17
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
4-(4-(DIMETHYLAMINO)STYRYL)PYRIDINE 95
- CAS RN: 889-36-1
- Product Code: starshine_CAS889-36-1
- Purity/Analytical method: >99.0%
-
N-Benzylidene-1-napthylamine
- CAS RN: 890-51-7
- Product Code: starshine_CAS890-51-7
- Purity/Analytical method: >99.0%
-
-
Ethanol, 2,2′,2”-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris-
- CAS RN: 891-65-6
- Product Code: SSC-200970
-
![CAS 891-65-6 Ethanol, 2,2′,2”-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/891-65-6.gif)
