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CAS 1078607-71-2 Fmoc-MeSer(Trt)-OH molecular structure lightbox
CAS RN: 1078607-71-2

Fmoc-MeSer(Trt)-OH

  • Product code: SSC-009203
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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 1078607-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1078607-71-2 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-trityloxypropanoic acid

Fmoc-N-Me-L-Ser(Trt)-OH | Fmoc-N-Me-Ser(Trt)-OH | SCHEMBL25356899

Standard CAS: 1078607-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1078607-71-2
Multi CAS
No
Molecular Formula
C38H33NO5
Molecular Weight
583.700000
Exact Mass
583.235873
SMILES
CN([C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H33NO5/c1-39(37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34)35(36(40)41)26-44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-24,34-35H,25-26H2,1H3,(H,40,41)/t35-/m0/s1
InChIKey
JNGHYLDUUAEJDZ-DHUJRADRSA-N
Synonyms
Fmoc-N-Me-L-Ser(Trt)-OH Fmoc-N-Me-Ser(Trt)-OH SCHEMBL25356899 N-Fmoc-N-methyl-O-trityl-L-serine CS-0439173

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
169.42
TPSA
76.07

LogP / Solubility

WLOGP
7.33
MLOGP
6.5
XLogP3
7.4
Consensus LogP
7.08
Log S (ESOL)
-7.92
Class (ESOL)
Insoluble
Log S (Ali)
-9.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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