CAS RN: 1097731-30-0
2-methyl-2H-indazole-5-sulfonyl chloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1097731-30-0
- Purity/Analytical Methods: >99.0%
1097731-30-0 / 2-methylindazole-5-sulfonyl chloride
2-METHYL-2H-INDAZOLE-5-SULFONYL CHLORIDE | MFCD21642048 | 2-methylindazole-5-sulfonyl chloride
Basic Information
CAS
1097731-30-0
Multi CAS
No
Molecular Formula
C8H7ClN2O2S
Molecular Weight
230.670000
Exact Mass
229.991676
SMILES
CN1C=C2C=C(C=CC2=N1)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O2S/c1-11-5-6-4-7(14(9,12)13)2-3-8(6)10-11/h2-5H,1H3
InChIKey
AQKYXMWGYKMGPB-UHFFFAOYSA-N
Synonyms
2-METHYL-2H-INDAZOLE-5-SULFONYL CHLORIDE
MFCD21642048
2-methylindazole-5-sulfonyl chloride
AKOS024155482
PB31212
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.75
TPSA
51.96
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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