![CAS 332121-90-1 Benzoic acid, 5-chloro-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332121-90-1.gif)
CAS RN: 332121-90-1
Benzoic acid, 5-chloro-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- (9CI)
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.20251015 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-139196
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
332121-90-1 / 5-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Basic Information
CAS
332121-90-1
Multi CAS
Yes
Molecular Formula
C22H16CLNO4
Molecular Weight
393.800000
Exact Mass
393.076786
InChI
InChI=1S/C22H16ClNO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26)
InChIKey
GDUMTWJMHBPBQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
107.1
TPSA
75.63
LogP / Solubility
WLOGP
5.4
MLOGP
4.77
XLogP3
5.3
Consensus LogP
5.16
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 332121-93-4 Benzoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-methoxy- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332121-93-4.gif)
