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CAS 125602-26-8 BOC-N-ME-ARG(MTR)-OH molecular structure lightbox
CAS RN: 125602-26-8

BOC-N-ME-ARG(MTR)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-030361
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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 125602-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

125602-26-8 / (2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

Standard CAS: 125602-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125602-26-8
Multi CAS
No
Molecular Formula
C22H36N4O7S
Molecular Weight
500.600000
Exact Mass
500.230471
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C)N)C)C)OC
InChI
InChI=1S/C22H36N4O7S/c1-13-12-17(32-8)14(2)15(3)18(13)34(30,31)25-20(23)24-11-9-10-16(19(27)28)26(7)21(29)33-22(4,5)6/h12,16H,9-11H2,1-8H3,(H,27,28)(H3,23,24,25)/t16-/m0/s1
InChIKey
CCQFOFXVPZPGDN-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
128.67
TPSA
160.62

LogP / Solubility

WLOGP
2.31
MLOGP
2.07
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
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)
-4.13

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
3

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