[email protected]
CAS 942492-23-1 Naphthalen-1,4-iMine-9-carboxylic acid, 6-aMino-1,2,3,4-tetrahydro-, 1,1-diMethylethyl ester, (1S,4R)- molecular structure lightbox
CAS RN: 942492-23-1

Naphthalen-1,4-iMine-9-carboxylic acid, 6-aMino-1,2,3,4-tetrahydro-, 1,1-diMethylethyl ester, (1S,4R)-

  • Product code: SSC-208910
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 942492-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

942492-23-1 / tert-butyl 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylate

Standard CAS: 942492-23-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
942492-23-1
Multi CAS
Yes
Molecular Formula
C15H20N2O2
Molecular Weight
260.330000
Exact Mass
260.152478
InChI
InChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)17-12-6-7-13(17)11-8-9(16)4-5-10(11)12/h4-5,8,12-13H,6-7,16H2,1-3H3
InChIKey
RGNQFMYCOUARHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.64
TPSA
55.56

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
2.1
Consensus LogP
2.83
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us