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CAS 443899-48-7 (2S,3R)-3-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)-carbonyl]pyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 443899-48-7

(2S,3R)-3-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)-carbonyl]pyrrolidine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-152374
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 443899-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

443899-48-7 / 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

Standard CAS: 443899-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
443899-48-7
Multi CAS
Yes
Molecular Formula
C24H27NO5
Molecular Weight
409.500000
Exact Mass
409.188923
InChI
InChI=1S/C24H27NO5/c1-24(2,3)30-20-12-13-25(21(20)22(26)27)23(28)29-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,27)/t20-,21+/m1/s1
InChIKey
DTOQXZRPBAMOGM-RTWAWAEBSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
112.44
TPSA
76.07

LogP / Solubility

WLOGP
4.28
MLOGP
3.79
XLogP3
3.9
Consensus LogP
3.99
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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