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CAS 1093651-96-7 (2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-phenylpyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 1093651-96-7

(2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-phenylpyrrolidine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010640
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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: 0.25g
  • 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 1093651-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1093651-96-7 / (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

(2S,4R)-Fmoc-4-phenyl-pyrrolidine-2-carboxylic acid | (2s,4r)-1-(((9h-fluoren-9-yl)methoxy)carbonyl)-4-phenylpyrrolidine-2-carboxylic acid | MFCD06656464

Standard CAS: 1093651-96-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1093651-96-7
Multi CAS
Yes
Molecular Formula
C26H23NO4
Molecular Weight
413.500000
Exact Mass
413.162708
SMILES
C1[C@@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5
InChI
InChI=1S/C26H23NO4/c28-25(29)24-14-18(17-8-2-1-3-9-17)15-27(24)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16H2,(H,28,29)/t18-,24-/m0/s1
InChIKey
YABZSVAQRSIEAZ-UUOWRZLLSA-N
Synonyms
(2S,4R)-Fmoc-4-phenyl-pyrrolidine-2-carboxylic acid (2s,4r)-1-(((9h-fluoren-9-yl)methoxy)carbonyl)-4-phenylpyrrolidine-2-carboxylic acid MFCD06656464 (2S,4R)-1-Fmoc-4-phenylpyrrolidine-2-carboxylic Acid (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117
TPSA
66.84

LogP / Solubility

WLOGP
4.88
MLOGP
4.32
XLogP3
4.7
Consensus LogP
4.63
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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