CAS RN: 774238-85-6
N-(4-(hydroxymethyl)phenyl)methanesulfonamide
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.20251224 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS774238-85-6
- Purity/Analytical Methods: >99.0%
774238-85-6 / N-[4-(hydroxymethyl)phenyl]methanesulfonamide
Basic Information
CAS
774238-85-6
Multi CAS
No
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
InChI
InChI=1S/C8H11NO3S/c1-13(11,12)9-8-4-2-7(6-10)3-5-8/h2-5,9-10H,6H2,1H3
InChIKey
YNQSODATMCATMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.83
TPSA
66.4
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.1
Consensus LogP
0.38
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
tert-Butyl 4-(hydroxymethyl)benzyl(methyl)carbamate
- CAS RN: 774238-90-3
- Product Code: SSC-186992
-
![CAS 774487-83-1 Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(methylamino)-, methyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/774487-83-1.gif)
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(methylamino)-, methyl ester (9CI)
- CAS RN: 774487-83-1
- Product Code: SSC-187002
-
Piperidine, 3-(1H-1,2,4-triazol-1-yl)- (9CI)
- CAS RN: 774511-83-0
- Product Code: SSC-187011
-
-
1-(4-PYRIDINYLMETHYL)PIPERIDINE-4-CARBOXYLIC ACID
- CAS RN: 774531-43-0
- Product Code: starshine_CAS774531-43-0
- Purity/Analytical method: >99.0%
-
![CAS 774533-81-2 5-(Tert-Butoxycarbonyl)-5,6-Dihydro-4H-Pyrrolo[3,4-D]Thiazole-2-Carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/774533-81-2.gif)
5-(Tert-Butoxycarbonyl)-5,6-Dihydro-4H-Pyrrolo[3,4-D]Thiazole-2-Carboxylic Acid
- CAS RN: 774533-81-2
- Product Code: SSC-187013