CAS RN: 144650-93-1
SULFO-N-SUCCINIMIDYL (N-IODOACETYL)AMINOBENZOATE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250929 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS144650-93-1
- Purity/Analytical Methods: >99.0%
144650-93-1 / sodium 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonate
Basic Information
CAS
144650-93-1
Multi CAS
No
Molecular Formula
C13H10IN2NaO8S
Molecular Weight
504.190000
Exact Mass
503.910030
SMILES
C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)NC(=O)CI)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C13H11IN2O8S.Na/c14-6-10(17)15-8-3-1-7(2-4-8)13(20)24-16-11(18)5-9(12(16)19)25(21,22)23;/h1-4,9H,5-6H2,(H,15,17)(H,21,22,23);/q;+1/p-1
InChIKey
HHSGWIABCIVPJT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
89.33
TPSA
149.98
LogP / Solubility
WLOGP
-3.19
MLOGP
-2.77
XLogP3
-3.19
Consensus LogP
-3.05
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-8.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 144657-66-9 1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
- CAS RN: 144657-66-9
- Product Code: SSC-055923
-
tert-butyl 3-(chloroMethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- CAS RN: 144657-68-1
- Product Code: starshine_CAS144657-68-1
- Purity/Analytical method: >99.0%
-
Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2- butenedioate (1:2)
- CAS RN: 144675-97-8
- Product Code: starshine_CAS144675-97-8
- Purity/Analytical method: >99.0%
-
2-METHYLAMINO-1-PYRROLIDIN-1-YL-ETHANONE X HCL >98%
- CAS RN: 144685-61-0
- Product Code: starshine_CAS144685-61-0
- Purity/Analytical method: >99.0%
-
TERT-BUTYL 2-METHOXYPYRROLIDINE-1-CARBOXYLATE
- CAS RN: 144688-69-7
- Product Code: SSC-055949
-
![CAS 144657-66-9 1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144657-66-9.gif)
![CAS 144657-68-1 tert-butyl 3-(chloroMethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144657-68-1.gif)
