CAS RN: 24134-65-4
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl chloride(SALTDATA: FREE)
- Product code: SSC-117764
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
24134-65-4 / 1,3-dimethyl-2-oxobenzimidazole-5-sulfonyl chloride
Basic Information
CAS
24134-65-4
Multi CAS
No
Molecular Formula
C9H9ClN2O3S
Molecular Weight
260.700000
Exact Mass
260.002241
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)N(C1=O)C
InChI
InChI=1S/C9H9ClN2O3S/c1-11-7-4-3-6(16(10,14)15)5-8(7)12(2)9(11)13/h3-5H,1-2H3
InChIKey
AAJFTCBEVWPIMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
61.2
TPSA
61.07
LogP / Solubility
WLOGP
0.8
MLOGP
0.72
XLogP3
1.5
Consensus LogP
1.01
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.74
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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