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CAS 81672-17-5 (9H-Fluoren-9-yl)MethOxy]Carbonyl Ser(tBu)-Gly-OH molecular structure lightbox
CAS RN: 81672-17-5

(9H-Fluoren-9-yl)MethOxy]Carbonyl Ser(tBu)-Gly-OH

  • Product code: SSC-190048
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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 81672-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

81672-17-5 / 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid

Standard CAS: 81672-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81672-17-5
Multi CAS
Yes
Molecular Formula
C24H28N2O6
Molecular Weight
440.500000
Exact Mass
440.194737
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-14-20(22(29)25-12-21(27)28)26-23(30)31-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1
InChIKey
KXWFIADQSGXDHH-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
118.34
TPSA
113.96

LogP / Solubility

WLOGP
2.91
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

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

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