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CAS 257288-19-0 H-ARG(PBF)-OME HCL molecular structure lightbox
CAS RN: 257288-19-0

H-ARG(PBF)-OME HCL

  • Product code: SSC-122193
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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: ≥97%
  • 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 257288-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

257288-19-0 / methyl (2S)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoate;hydrochloride

Standard CAS: 257288-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
257288-19-0
Multi CAS
No
Molecular Formula
C20H33ClN4O5S
Molecular Weight
477.000000
Exact Mass
476.186019
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)OC)N)N)C.Cl
InChI
InChI=1S/C20H32N4O5S.ClH/c1-11-12(2)17(13(3)14-10-20(4,5)29-16(11)14)30(26,27)24-19(22)23-9-7-8-15(21)18(25)28-6;/h15H,7-10,21H2,1-6H3,(H3,22,23,24);1H/t15-;/m0./s1
InChIKey
YPQBZJQUKCGWKC-RSAXXLAASA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
122.35
TPSA
146.1

LogP / Solubility

WLOGP
1.62
MLOGP
1.46
XLogP3
1.62
Consensus LogP
1.57
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48

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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