![CAS 2173637-23-3 tert-butyl cis-3-{2-[(4-methylbenzenesulfonyl)oxy]ethoxycyclobutane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173637-23-3.png)
CAS RN: 2173637-23-3
tert-butyl cis-3-{2-[(4-methylbenzenesulfonyl)oxy]ethoxycyclobutane-1-carboxylate
- Product code: SSC-104895
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 | Shenzhen | Inquiry |
2173637-23-3 / tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]cyclobutane-1-carboxylate
Basic Information
CAS
2173637-23-3
Multi CAS
No
Molecular Formula
C18H26O6S
Molecular Weight
370.500000
Exact Mass
370.145010
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CC(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H26O6S/c1-13-5-7-16(8-6-13)25(20,21)23-10-9-22-15-11-14(12-15)17(19)24-18(2,3)4/h5-8,14-15H,9-12H2,1-4H3
InChIKey
WEZPGVBMQJKKIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
92.63
TPSA
78.9
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
2.8
Consensus LogP
2.72
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2173637-25-5 tert-butyl (3r)-3-[3-bromo-4-carbamoyl-5-(methylamino)-1h-pyrazol-1-yl]pyrrolidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173637-25-5.png)
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