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CAS 99306-64-6 Nα-(tert-Butoxycarbonyl)-L-arginine 4-Nitroanilide Hydrochloride molecular structure lightbox
CAS RN: 99306-64-6

Nα-(tert-Butoxycarbonyl)-L-arginine 4-Nitroanilide Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-213082
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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: 25g
  • 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 99306-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

99306-64-6 / tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride

Standard CAS: 99306-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99306-64-6
Multi CAS
Yes
Molecular Formula
C17H27CLN6O5
Molecular Weight
430.900000
Exact Mass
430.173146
InChI
InChI=1S/C17H26N6O5.ClH/c1-17(2,3)28-16(25)22-13(5-4-10-20-15(18)19)14(24)21-11-6-8-12(9-7-11)23(26)27;/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)(H,22,25)(H4,18,19,20);1H/t13-;/m0./s1
InChIKey
OUVONNGVXPOXGB-ZOWNYOTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
112.04
TPSA
174.97

LogP / Solubility

WLOGP
1.9
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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

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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