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CAS 865352-21-2 (R)-N-Fmoc-2-(3′-butenyl)glycine molecular structure lightbox
CAS RN: 865352-21-2

(R)-N-Fmoc-2-(3′-butenyl)glycine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 100mg In stock Shanghai Inquiry
  • Product code: SSC-195686
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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: >97%
  • 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 865352-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

865352-21-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid

Standard CAS: 865352-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
865352-21-2
Multi CAS
Yes
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
InChI
InChI=1S/C21H21NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h2,4-11,18-19H,1,3,12-13H2,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey
CPJQXKHZCVDRSX-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.06
TPSA
75.63

LogP / Solubility

WLOGP
3.94
MLOGP
3.49
XLogP3
4.2
Consensus LogP
3.88
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
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)
-2.06

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
3

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