[email protected]
CAS 3567-76-8 [9-(2-chloroethyl)-7-oxo-10-oxa-8-azabicyclo[4.4.0]deca-2,4,11-trien-4-yl]azanium chloride molecular structure lightbox
CAS RN: 3567-76-8

[9-(2-chloroethyl)-7-oxo-10-oxa-8-azabicyclo[4.4.0]deca-2,4,11-trien-4-yl]azanium chloride

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 1mg / 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 5mg Out of stock Inquiry
  • Product code: starshine_CAS3567-76-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3567-76-8 / 6-amino-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one

Standard CAS: 3567-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3567-76-8
Multi CAS
Yes
Molecular Formula
C10H11CLN2O2
Molecular Weight
226.660000
Exact Mass
226.050905
InChI
InChI=1S/C10H11ClN2O2/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9/h1-2,5,9H,3-4,12H2,(H,13,14)
InChIKey
PCYLDXMXEPSXFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.07
TPSA
64.35

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
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)
-3.15

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
2

Customers Also Viewed

Get In Touch

Contact Us