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CAS 856412-21-0 5-Hexenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (2S)- molecular structure lightbox
CAS RN: 856412-21-0

5-Hexenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (2S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-194125
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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 856412-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

856412-21-0 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hex-5-enoic acid

Standard CAS: 856412-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
856412-21-0
Multi CAS
Yes
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
InChI
InChI=1S/C22H23NO4/c1-3-4-13-20(21(24)25)23(2)22(26)27-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h3,5-12,19-20H,1,4,13-14H2,2H3,(H,24,25)/t20-/m0/s1
InChIKey
WEIZUZAGVKXOOD-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.69
TPSA
66.84

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.3
Consensus LogP
4.13
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
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)
-1.91

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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