![CAS 1207203-37-9 1-[(benzyloxy)carbonyl]-3-phenylazetidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207203-37-9.gif)
CAS RN: 1207203-37-9
1-[(benzyloxy)carbonyl]-3-phenylazetidine-3-carboxylic acid
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.20250226 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-021909
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 | Beijing | Inquiry |
1207203-37-9 / 3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
1-[(Benzyloxy)carbonyl]-3-phenylazetidine-3-carboxylic acid | 1-[(benzyloxy)carbonyl]-3-phenylazetidine-3-carboxylicacid | 1-((Benzyloxy)carbonyl)-3-phenylazetidine-3-carboxylic acid
Basic Information
CAS
1207203-37-9
Multi CAS
No
Molecular Formula
C18H17NO4
Molecular Weight
311.300000
Exact Mass
311.115758
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H17NO4/c20-16(21)18(15-9-5-2-6-10-15)12-19(13-18)17(22)23-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,21)
InChIKey
XHGAANLMEGVGMS-UHFFFAOYSA-N
Synonyms
1-[(Benzyloxy)carbonyl]-3-phenylazetidine-3-carboxylic acid
1-[(benzyloxy)carbonyl]-3-phenylazetidine-3-carboxylicacid
1-((Benzyloxy)carbonyl)-3-phenylazetidine-3-carboxylic acid
MFCD28501967
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.96
TPSA
66.84
LogP / Solubility
WLOGP
2.66
MLOGP
2.36
XLogP3
2.4
Consensus LogP
2.47
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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