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CAS 655246-28-9 1-(Fmoc-aminomethyl)-beta-D-galacturonic acid molecular structure lightbox
CAS RN: 655246-28-9

1-(Fmoc-aminomethyl)-beta-D-galacturonic acid

  • Product code: SSC-175173
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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 655246-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

655246-28-9 / 6-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 655246-28-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
655246-28-9
Multi CAS
Yes
Molecular Formula
C22H23NO8
Molecular Weight
429.400000
Exact Mass
429.142367
InChI
InChI=1S/C22H23NO9/c23-18(22(30)19(26)16(25)15(24)17(32-22)20(27)28)21(29)31-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-19,24-26,30H,9,23H2,(H,27,28)/t15-,16+,17+,18?,19-,22-/m1/s1
InChIKey
OZFYZUKMWKWDMQ-INUOZWKRSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
107.39
TPSA
145.55

LogP / Solubility

WLOGP
0.46
MLOGP
0.43
XLogP3
1.6
Consensus LogP
0.83
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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