CAS RN: 1448682-03-8
R
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.20260524 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1448682-03-8
- Purity/Analytical Methods: >99.0%
1448682-03-8 / N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
Basic Information
CAS
1448682-03-8
Multi CAS
No
Molecular Formula
C10H13NO3S
Molecular Weight
227.280000
Exact Mass
227.061614
SMILES
C[C@H](C1=CC=C(C=C1)C=O)NS(=O)(=O)C
InChI
InChI=1S/C10H13NO3S/c1-8(11-15(2,13)14)10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3/t8-/m1/s1
InChIKey
NZANNRRPTURUBK-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.22
TPSA
63.24
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.7
Consensus LogP
0.93
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
tert-butyl 4-(6-hydroxypyridin-2-yl)piperidine-1-carboxylate
- CAS RN: 1448682-17-4
- Product Code: SSC-056208
-
A-92
- CAS RN: 1448693-69-3
- Product Code: starshine_CAS1448693-69-3
- Purity/Analytical method: >99.0%
-
5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-7-iodo-
- CAS RN: 1448695-71-3
- Product Code: SSC-056209
-
-
(R)-(+)-2,2′-Bis[di(3,5-dimethoxyphenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl
- CAS RN: 1448722-98-2
- Product Code: starshine_CAS1448722-98-2
- Purity/Analytical method: >99.0%
-
UM729
- CAS RN: 1448723-60-1
- Product Code: starshine_CAS1448723-60-1
- Purity/Analytical method: >99.0%
![CAS 1448695-71-3 5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-7-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1448695-71-3.gif)
![CAS 1448722-98-2 (R)-(+)-2,2′-Bis[di(3,5-dimethoxyphenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1448722-98-2.gif)
