CAS RN: 39614-62-5
3,4,5-Trimethoxybenzene- 1-sulfonyl chloride
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.20260224 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS39614-62-5
- Purity/Analytical Methods: >99.0%
39614-62-5 / 3,4,5-trimethoxybenzenesulfonyl chloride
Basic Information
CAS
39614-62-5
Multi CAS
Yes
Molecular Formula
C9H11CLO5S
Molecular Weight
266.700000
Exact Mass
266.001572
InChI
InChI=1S/C9H11ClO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
InChIKey
MQSMMBMVEDEDQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
59.14
TPSA
61.83
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
methyl 2-(2,6-dichloro-3-cyanopyridin-4-yl)acetate
- CAS RN: 39621-02-8
- Product Code: SSC-147323
