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CAS 23815-91-0 H-ARG-PRO-PRO-OH SULFATE SALT molecular structure lightbox
CAS RN: 23815-91-0

H-ARG-PRO-PRO-OH SULFATE SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS23815-91-0
  • Purity/Analytical Methods: >99.0%
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23815-91-0 / (2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Standard CAS: 23815-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23815-91-0
Multi CAS
No
Molecular Formula
C16H28N6O4
Molecular Weight
368.430000
Exact Mass
368.217203
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)O
InChI
InChI=1S/C16H28N6O4/c17-10(4-1-7-20-16(18)19)13(23)21-8-2-5-11(21)14(24)22-9-3-6-12(22)15(25)26/h10-12H,1-9,17H2,(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1
InChIKey
YCYXHLZRUSJITQ-SRVKXCTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
94.99
TPSA
168.34

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.36
XLogP3
-4.1
Consensus LogP
-2.34
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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