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CAS 201851-47-0 H-GLN-AMC HBR molecular structure lightbox
CAS RN: 201851-47-0

H-GLN-AMC HBR

  • Product code: SSC-095132
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 201851-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

201851-47-0 / (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)pentanediamide;hydrobromide

Standard CAS: 201851-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201851-47-0
Multi CAS
No
Molecular Formula
C15H18BrN3O4
Molecular Weight
384.220000
Exact Mass
383.048070
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCC(=O)N)N.Br
InChI
InChI=1S/C15H17N3O4.BrH/c1-8-6-14(20)22-12-7-9(2-3-10(8)12)18-15(21)11(16)4-5-13(17)19;/h2-3,6-7,11H,4-5,16H2,1H3,(H2,17,19)(H,18,21);1H/t11-;/m0./s1
InChIKey
SRWUIOKXPHJVKI-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
92.58
TPSA
128.42

LogP / Solubility

WLOGP
1.21
MLOGP
1.09
XLogP3
1.21
Consensus LogP
1.17
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

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

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