[email protected]
CAS 1160247-01-7 7-(tert-Butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-ene-3-carboxylic acid molecular structure lightbox
CAS RN: 1160247-01-7

7-(tert-Butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1160247-01-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1160247-01-7 / 9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

7-(TERT-BUTOXYCARBONYL)-1-OXA-2,7-DIAZASPIRO[4.5]DEC-2-ENE-3-CARBOXYLIC ACID | 7-(tert-Butoxycarbonyl)-1-oxa-2,7-diazaspiro(4.5)dec-2-ene-3-carboxylic acid | RefChem:545267

Standard CAS: 1160247-01-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1160247-01-7
Multi CAS
No
Molecular Formula
C13H20N2O5
Molecular Weight
284.310000
Exact Mass
284.137222
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC(=NO2)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-12(2,3)19-11(18)15-6-4-5-13(8-15)7-9(10(16)17)14-20-13/h4-8H2,1-3H3,(H,16,17)
InChIKey
SKWDIOBLAPQHAF-UHFFFAOYSA-N
Synonyms
7-(TERT-BUTOXYCARBONYL)-1-OXA-2,7-DIAZASPIRO[4.5]DEC-2-ENE-3-CARBOXYLIC ACID 7-(tert-Butoxycarbonyl)-1-oxa-2,7-diazaspiro(4.5)dec-2-ene-3-carboxylic acid RefChem:545267 866-220-1 7-Boc-1-oxa-2,7-diazaspiro-[4.5]dec-2-ene-3-carboxylicacid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.54
TPSA
88.43

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us