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CAS 130397-19-2 FMOC-ARG(MTR)-OPFP molecular structure lightbox
CAS RN: 130397-19-2

FMOC-ARG(MTR)-OPFP

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS130397-19-2
  • Purity/Analytical Methods: >99.0%
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130397-19-2 / (2,3,4,5,6-pentafluorophenyl) (2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

Standard CAS: 130397-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130397-19-2
Multi CAS
No
Molecular Formula
C37H35F5N4O7S
Molecular Weight
774.800000
Exact Mass
774.214661
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)C)OC
InChI
InChI=1S/C37H35F5N4O7S/c1-18-16-27(51-4)19(2)20(3)34(18)54(49,50)46-36(43)44-15-9-14-26(35(47)53-33-31(41)29(39)28(38)30(40)32(33)42)45-37(48)52-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,16,25-26H,9,14-15,17H2,1-4H3,(H,45,48)(H3,43,44,46)/t26-/m0/s1
InChIKey
SNQWXODNGKSQLH-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
3
Molar refractivity
187.11
TPSA
158.41

LogP / Solubility

WLOGP
6.2
MLOGP
5.53
XLogP3
6.8
Consensus LogP
6.18
Log S (ESOL)
-8.09
Class (ESOL)
Insoluble
Log S (Ali)
-10.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04

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
5.5

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