[email protected]
CAS 117499-16-8 1,7-BIS-BOC-1,4,7-TRIAZAHEPTANE molecular structure lightbox
CAS RN: 117499-16-8

1,7-BIS-BOC-1,4,7-TRIAZAHEPTANE

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260212 100g In stock Shanghai Inquiry
Batchno.20250811 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260518 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250705 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250104 250mg / 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250528 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250122 500g In stock Shanghai Inquiry
Batchno.20250924 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-017355
GET A QUOTE
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, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 117499-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

117499-16-8 / tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]carbamate

tert-butyl N-{2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]ethyl}carbamate | tert-butyl N-(2-((2-(((tert-butoxy)carbonyl)amino)ethyl)amino)ethyl)carbamate | RefChem:895425

Standard CAS: 117499-16-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117499-16-8
Multi CAS
Yes
Molecular Formula
C14H29N3O4
Molecular Weight
303.400000
Exact Mass
303.215806
SMILES
CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKey
KNORWRWRHNHJAV-UHFFFAOYSA-N
Synonyms
tert-butyl N-{2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]ethyl}carbamate tert-butyl N-(2-((2-(((tert-butoxy)carbonyl)amino)ethyl)amino)ethyl)carbamate RefChem:895425 837-916-2 Di-tert-butyl (azanediylbis(ethane-2,1-diyl))dicarbamate

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
81.34
TPSA
88.69

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us