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CAS 700377-76-0 Fmoc-L-beta-Homoarginine(Pmc) molecular structure lightbox
CAS RN: 700377-76-0

Fmoc-L-beta-Homoarginine(Pmc)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS700377-76-0
  • Purity/Analytical Methods: >99.0%
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700377-76-0 / (3S)-6-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Standard CAS: 700377-76-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
700377-76-0
Multi CAS
Yes
Molecular Formula
C36H44N4O7S
Molecular Weight
676.800000
Exact Mass
676.293071
InChI
InChI=1S/C36H44N4O7S/c1-21-22(2)33(23(3)25-16-17-36(4,5)47-32(21)25)48(44,45)40-34(37)38-18-10-11-24(19-31(41)42)39-35(43)46-20-30-28-14-8-6-12-26(28)27-13-7-9-15-29(27)30/h6-9,12-15,24,30H,10-11,16-20H2,1-5H3,(H,39,43)(H,41,42)(H3,37,38,40)/t24-/m0/s1
InChIKey
MGKMEQWQKICWRD-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
4
Molar refractivity
183.97
TPSA
169.41

LogP / Solubility

WLOGP
5.47
MLOGP
4.87
XLogP3
5.4
Consensus LogP
5.25
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
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)
-2.96

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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