CAS RN: 934236-31-4
5-Methylsulfamoylmethyl-1H-indole-3-carboxylic acid methylester
- Product code: SSC-207625
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
934236-31-4 / methyl 5-(methylsulfamoylmethyl)-1H-indole-3-carboxylate
Basic Information
CAS
934236-31-4
Multi CAS
Yes
Molecular Formula
C12H14N2O4S
Molecular Weight
282.320000
Exact Mass
282.067428
InChI
InChI=1S/C12H14N2O4S/c1-13-19(16,17)7-8-3-4-11-9(5-8)10(6-14-11)12(15)18-2/h3-6,13-14H,7H2,1-2H3
InChIKey
JRJRWJDETARUGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.32
TPSA
88.26
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
1.5
Consensus LogP
1.13
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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(R)-1-PHENYLBUTYLAMINE HCL
- CAS RN: 934268-52-7
- Product Code: starshine_CAS934268-52-7
- Purity/Analytical method: >99.0%
