![CAS 1335206-44-4 1-Pyrrolidinecarboxylic acid, 2-[(carboxyMethoxy)Methyl]-, 1-(9H-fluoren-9-ylMethyl) ester, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1335206-44-4.gif)
CAS RN: 1335206-44-4
1-Pyrrolidinecarboxylic acid, 2-[(carboxyMethoxy)Methyl]-, 1-(9H-fluoren-9-ylMethyl) ester, (2R)-
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.20251205 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-040360
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 | Hong Kong | Inquiry |
1335206-44-4 / 2-[[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]methoxy]acetic acid
Basic Information
CAS
1335206-44-4
Multi CAS
No
Molecular Formula
C22H23NO5
Molecular Weight
381.400000
Exact Mass
381.157623
SMILES
C1C[C@@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COCC(=O)O
InChI
InChI=1S/C22H23NO5/c24-21(25)14-27-12-15-6-5-11-23(15)22(26)28-13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25)/t15-/m1/s1
InChIKey
GHSLNPNRODXCRM-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.25
TPSA
76.07
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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
Yes
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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