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CAS 100940-56-5 GLY-ARG 4-METHOXY-BETA-NAPHTHYLAMIDE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 100940-56-5

GLY-ARG 4-METHOXY-BETA-NAPHTHYLAMIDE DIHYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS100940-56-5
  • Purity/Analytical Methods: >99.0%
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100940-56-5 / 2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-(4-methoxynaphthalen-2-yl)pentanamide;hydrochloride

Gly-Arg 4-methoxy-beta-naphthylamide dihydrochloride | H-Gly-Arg-4MbNA 2 HCl | H-Gly-Arg-4MbetaNA . 2 HCl

Standard CAS: 100940-56-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100940-56-5
Multi CAS
Yes
Molecular Formula
C19H27ClN6O3
Molecular Weight
422.900000
Exact Mass
422.183316
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)CN.Cl
InChI
InChI=1S/C19H26N6O3.ClH/c1-28-16-10-13(9-12-5-2-3-6-14(12)16)24-18(27)15(25-17(26)11-20)7-4-8-23-19(21)22;/h2-3,5-6,9-10,15H,4,7-8,11,20H2,1H3,(H,24,27)(H,25,26)(H4,21,22,23);1H
InChIKey
ZMJQLLSJSFQLTM-UHFFFAOYSA-N
Synonyms
Gly-Arg 4-methoxy-beta-naphthylamide dihydrochloride H-Gly-Arg-4MbNA 2 HCl H-Gly-Arg-4MbetaNA . 2 HCl MFCD00237896 FA30255

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
5
Molar refractivity
117.27
TPSA
157.85

LogP / Solubility

WLOGP
0.71
MLOGP
0.65
XLogP3
0.71
Consensus LogP
0.69
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.8

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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