[email protected]
CAS 180858-08-6 n-methoxy-n-methyl-succinamic acid tert-butyl ester molecular structure lightbox
CAS RN: 180858-08-6

n-methoxy-n-methyl-succinamic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS180858-08-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

180858-08-6 / tert-butyl 4-[methoxy(methyl)amino]-4-oxobutanoate

Standard CAS: 180858-08-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180858-08-6
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)CCC(=O)N(C)OC
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-6-8(12)11(4)14-5/h6-7H2,1-5H3
InChIKey
WFPAIHVCLZLRLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
54.86
TPSA
55.84

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.5
Consensus LogP
0.87
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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