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CAS 214852-44-5 FMoc-D-Arg-OH HCl molecular structure lightbox
CAS RN: 214852-44-5

FMoc-D-Arg-OH HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS214852-44-5
  • Purity/Analytical Methods: >99.0%
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214852-44-5 / (2R)-5-(diaminomethylideneamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid;hydrochloride

Standard CAS: 214852-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214852-44-5
Multi CAS
No
Molecular Formula
C21H25ClN4O4
Molecular Weight
432.900000
Exact Mass
432.156433
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCCN=C(N)N)C(=O)O.Cl
InChI
InChI=1S/C21H24N4O4.ClH/c22-20(23)24-11-5-10-18(19(26)27)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;/h1-4,6-9,17-18H,5,10-12H2,(H,25,28)(H,26,27)(H4,22,23,24);1H/t18-;/m1./s1
InChIKey
GKVPGWVXDVZUBA-GMUIIQOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
116.79
TPSA
140.03

LogP / Solubility

WLOGP
2.45
MLOGP
2.19
XLogP3
2.45
Consensus LogP
2.36
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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