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CAS 108787-91-3 (Tert-Butoxy)Carbonyl Arg(Boc)2-OH (Symmetrical) molecular structure lightbox
CAS RN: 108787-91-3

(Tert-Butoxy)Carbonyl Arg(Boc)2-OH (Symmetrical)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250521 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-010053
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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 108787-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

108787-91-3 / (2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

BOC-ARG(BOC)2-OH | DTXSID30464257 | RefChem:330007

Standard CAS: 108787-91-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108787-91-3
Multi CAS
Yes
Molecular Formula
C21H38N4O8
Molecular Weight
474.500000
Exact Mass
474.268964
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C21H38N4O8/c1-19(2,3)31-16(28)23-13(14(26)27)11-10-12-22-15(24-17(29)32-20(4,5)6)25-18(30)33-21(7,8)9/h13H,10-12H2,1-9H3,(H,23,28)(H,26,27)(H2,22,24,25,29,30)/t13-/m0/s1
InChIKey
BGOFOVHACSQSIE-ZDUSSCGKSA-N
Synonyms
BOC-ARG(BOC)2-OH DTXSID30464257 RefChem:330007 DTXCID20415076 802-262-9

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.76
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
121.07
TPSA
164.65

LogP / Solubility

WLOGP
3.15
MLOGP
2.8
XLogP3
4
Consensus LogP
3.32
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.38

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

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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