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CAS 62354-56-7 H-D-PRO-PHE-ARG-PNA 2 HCL molecular structure lightbox
CAS RN: 62354-56-7

H-D-PRO-PHE-ARG-PNA 2 HCL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251026 25mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS62354-56-7
  • Purity/Analytical Methods: >99.0%
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62354-56-7 / (2R)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;dihydrochloride

Standard CAS: 62354-56-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62354-56-7
Multi CAS
Yes
Molecular Formula
C26H36CL2N8O5
Molecular Weight
611.500000
Exact Mass
610.218572
InChI
InChI=1S/C26H34N8O5.2ClH/c27-26(28)30-15-5-9-21(24(36)31-18-10-12-19(13-11-18)34(38)39)32-25(37)22(16-17-6-2-1-3-7-17)33-23(35)20-8-4-14-29-20;;/h1-3,6-7,10-13,20-22,29H,4-5,8-9,14-16H2,(H,31,36)(H,32,37)(H,33,35)(H4,27,28,30);2*1H/t20-,21+,22+;;/m1../s1
InChIKey
CFOCUZJDBWPWPX-XZQQPLIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
6
Molar refractivity
161.16
TPSA
206.87

LogP / Solubility

WLOGP
1.39
MLOGP
1.28
XLogP3
1.39
Consensus LogP
1.35
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46

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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