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CAS 628280-43-3 N-Fmoc DMNB-L-serine molecular structure lightbox
CAS RN: 628280-43-3

N-Fmoc DMNB-L-serine

  • Product code: SSC-172184
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 628280-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

628280-43-3 / (2S)-3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 628280-43-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
628280-43-3
Multi CAS
Yes
Molecular Formula
C27H26N2O9
Molecular Weight
522.500000
Exact Mass
522.163830
InChI
InChI=1S/C27H26N2O9/c1-35-24-11-16(23(29(33)34)12-25(24)36-2)13-37-15-22(26(30)31)28-27(32)38-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,21-22H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t22-/m0/s1
InChIKey
GEIDGZJCBUYWDB-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
2
Molar refractivity
135.48
TPSA
146.46

LogP / Solubility

WLOGP
4.12
MLOGP
3.66
XLogP3
3.8
Consensus LogP
3.86
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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