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CAS 878797-01-4 FMOC-PHE-SER(PSIME,MEPRO)-OH molecular structure lightbox
CAS RN: 878797-01-4

FMOC-PHE-SER(PSIME,MEPRO)-OH

  • Product code: SSC-198231
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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: 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 878797-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

878797-01-4 / (4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

Standard CAS: 878797-01-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
878797-01-4
Multi CAS
Yes
Molecular Formula
C30H30N2O6
Molecular Weight
514.600000
Exact Mass
514.210387
InChI
InChI=1S/C30H30N2O6/c1-30(2)32(26(18-38-30)28(34)35)27(33)25(16-19-10-4-3-5-11-19)31-29(36)37-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,24-26H,16-18H2,1-2H3,(H,31,36)(H,34,35)/t25-,26-/m0/s1
InChIKey
PQJUKTSKOYOXMZ-UIOOFZCWSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
140.44
TPSA
105.17

LogP / Solubility

WLOGP
4.18
MLOGP
3.72
XLogP3
4.5
Consensus LogP
4.13
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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