![CAS 749896-75-1 (4-[[(3,4-DICHLOROPHENYL)SULFONYL]AMINO]PHENYL)ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2493891.gif)
CAS RN: 749896-75-1
(4-[[(3,4-DICHLOROPHENYL)SULFONYL]AMINO]PHENYL)ACETIC ACID
- Product code: SSC-184471
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 | Hong Kong | Inquiry |
749896-75-1 / 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid
Basic Information
CAS
749896-75-1
Multi CAS
No
Molecular Formula
C14H11CL2NO4S
Molecular Weight
360.200000
Exact Mass
358.978584
InChI
InChI=1S/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
InChIKey
JHDALBMVZPHSDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.05
TPSA
83.47
LogP / Solubility
WLOGP
3.42
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.22
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 749902-82-7 3-CHLORO-N-(3-CHLORO-4-[[(4-CHLOROPHENYL)AMINO]SULFONYL]PHENYL)PROPANAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2416247.gif)
