![CAS 1883726-83-7 Spiro[1,5-benzoxazepine-3(2H),1′(2’H)-naphthalene]-7-carboxylic acid, 6′-chloro-3′,4,4′,5-tetrahydro-, (1’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883726-83-7.gif)
CAS RN: 1883726-83-7
Spiro[1,5-benzoxazepine-3(2H),1′(2’H)-naphthalene]-7-carboxylic acid, 6′-chloro-3′,4,4′,5-tetrahydro-, (1’S)-
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.20260228 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-087640
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1883726-83-7 / (4S)-7-chlorospiro[2,3-dihydro-1H-naphthalene-4,3'-4,5-dihydro-2H-1,5-benzoxazepine]-7'-carboxylic acid
Basic Information
CAS
1883726-83-7
Multi CAS
No
Molecular Formula
C19H18ClNO3
Molecular Weight
343.800000
Exact Mass
343.097521
SMILES
C1CC2=C(C=CC(=C2)Cl)[C@@]3(C1)CNC4=C(C=CC(=C4)C(=O)O)OC3
InChI
InChI=1S/C19H18ClNO3/c20-14-4-5-15-12(8-14)2-1-7-19(15)10-21-16-9-13(18(22)23)3-6-17(16)24-11-19/h3-6,8-9,21H,1-2,7,10-11H2,(H,22,23)/t19-/m0/s1
InChIKey
JXZIUGGBWCCSFA-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.45
TPSA
58.56
LogP / Solubility
WLOGP
4.12
MLOGP
3.64
XLogP3
4.5
Consensus LogP
4.09
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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