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CAS RN: 306764-81-8
5-(4-BROMO-PHENYLSULFAMOYL)-2-CHLORO-BENZOIC ACID
- Product code: SSC-135522
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 |
306764-81-8 / 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoic acid
Basic Information
CAS
306764-81-8
Multi CAS
No
Molecular Formula
C13H9BRCLNO4S
Molecular Weight
390.640000
Exact Mass
388.912420
InChI
InChI=1S/C13H9BrClNO4S/c14-8-1-3-9(4-2-8)16-21(19,20)10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18)
InChIKey
WFJZFEXHLJNUBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.36
TPSA
83.47
LogP / Solubility
WLOGP
3.6
MLOGP
3.19
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-2.55
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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