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CAS 113712-06-4 BOC-D-ARG-OH HCL H2O molecular structure lightbox
CAS RN: 113712-06-4

BOC-D-ARG-OH HCL H2O

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 5g / 10g / 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-013727
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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: 10g
  • 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 113712-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

113712-06-4 / (2R)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrochloride

(Tert-butoxycarbonyl)arginine hydrochloride | 2-{[(tert-butoxy)carbonyl]amino}-5-carbamimidamidopentanoic acid hydrochloride | Na-Boc-D-arginine hydrochloride hydrate

Standard CAS: 113712-06-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113712-06-4
Multi CAS
Yes
Molecular Formula
C11H23ClN4O4
Molecular Weight
310.780000
Exact Mass
310.140783
SMILES
CC(C)(C)OC(=O)N[C@H](CCCN=C(N)N)C(=O)O.Cl
InChI
InChI=1S/C11H22N4O4.ClH/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13;/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14);1H/t7-;/m1./s1
InChIKey
HDELGKMVZYHPPB-OGFXRTJISA-N
Synonyms
(Tert-butoxycarbonyl)arginine hydrochloride 2-{[(tert-butoxy)carbonyl]amino}-5-carbamimidamidopentanoic acid hydrochloride Na-Boc-D-arginine hydrochloride hydrate C11H23ClN4O4 NA-Boc-L-arginine hydrochloride hydrate

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
77.95
TPSA
140.03

LogP / Solubility

WLOGP
0.44
MLOGP
0.4
XLogP3
0.44
Consensus LogP
0.43
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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