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CAS 112160-37-9 H-ARG(PMC)-OH molecular structure lightbox
CAS RN: 112160-37-9

H-ARG(PMC)-OH

  • Product code: SSC-012639
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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 112160-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

112160-37-9 / (2S)-2-amino-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoic acid

H-D-Arg(Pmc)-OH | (2R)-2-amino-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoic acid | MFCD00153420

Standard CAS: 112160-37-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112160-37-9
Multi CAS
Yes
Molecular Formula
C20H32N4O5S
Molecular Weight
440.600000
Exact Mass
440.209341
SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N)N)C
InChI
InChI=1S/C20H32N4O5S/c1-11-12(2)17(13(3)14-8-9-20(4,5)29-16(11)14)30(27,28)24-19(22)23-10-6-7-15(21)18(25)26/h15H,6-10,21H2,1-5H3,(H,25,26)(H3,22,23,24)/t15-/m0/s1
InChIKey
USJFAMZEBZRDAJ-HNNXBMFYSA-N
Synonyms
H-D-Arg(Pmc)-OH (2R)-2-amino-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoic acid MFCD00153420 (R)-2-Amino-5-(3-((2,2,5,7,8-pentamethylchroman-6-yl)sulfonyl)guanidino)pentanoic acid C20H32N4O5S

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
115.34
TPSA
157.1

LogP / Solubility

WLOGP
1.5
MLOGP
1.35
XLogP3
-0.6
Consensus LogP
0.75
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-4.34

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

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