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CAS 173935-46-1 Fmoc-Ser(Ac3Fucα)-OH molecular structure lightbox
CAS RN: 173935-46-1

Fmoc-Ser(Ac3Fucα)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS173935-46-1
  • Purity/Analytical Methods: >99.0%
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173935-46-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxypropanoic acid

Standard CAS: 173935-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173935-46-1
Multi CAS
No
Molecular Formula
C30H33NO12
Molecular Weight
599.600000
Exact Mass
599.200275
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H33NO12/c1-15-25(41-16(2)32)26(42-17(3)33)27(43-18(4)34)29(40-15)38-14-24(28(35)36)31-30(37)39-13-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,15,23-27,29H,13-14H2,1-4H3,(H,31,37)(H,35,36)/t15-,24-,25+,26+,27-,29+/m0/s1
InChIKey
ASJUSURWRFINFU-DJCLUBOQSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
2
Molar refractivity
146.58
TPSA
172.99

LogP / Solubility

WLOGP
2.53
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.47
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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)
-4.58

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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