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CAS 2246708-86-9 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}hexanoic acid molecular structure lightbox
CAS RN: 2246708-86-9

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}hexanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-109756
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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, 5g
  • 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 2246708-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

2246708-86-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[methyl(prop-2-enoxycarbonyl)amino]hexanoic acid

Standard CAS: 2246708-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2246708-86-9
Multi CAS
No
Molecular Formula
C26H30N2O6
Molecular Weight
466.500000
Exact Mass
466.210387
SMILES
CN(CCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OCC=C
InChI
InChI=1S/C26H30N2O6/c1-3-16-33-26(32)28(2)15-9-8-14-23(24(29)30)27-25(31)34-17-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h3-7,10-13,22-23H,1,8-9,14-17H2,2H3,(H,27,31)(H,29,30)/t23-/m0/s1
InChIKey
NHRXNNDVJPJOIY-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
127.65
TPSA
105.17

LogP / Solubility

WLOGP
4.4
MLOGP
3.91
XLogP3
4.3
Consensus LogP
4.2
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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