![CAS 380432-44-0 4-CHLORO-3-[(FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0689319(1).gif)
CAS RN: 380432-44-0
4-CHLORO-3-[(FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID
- Product code: SSC-145526
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 | Shanghai | Inquiry |
380432-44-0 / 4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoic acid
Basic Information
CAS
380432-44-0
Multi CAS
No
Molecular Formula
C12H10CLNO5S
Molecular Weight
315.730000
Exact Mass
314.996821
InChI
InChI=1S/C12H10ClNO5S/c13-10-4-3-8(12(15)16)6-11(10)20(17,18)14-7-9-2-1-5-19-9/h1-6,14H,7H2,(H,15,16)
InChIKey
OLEJMFOGDZWTFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.14
TPSA
96.61
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
1.6
Consensus LogP
1.86
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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