[email protected]
CAS 869111-41-1 CyclohexylMethyl N-tosyloxycarbaMate molecular structure lightbox
CAS RN: 869111-41-1

CyclohexylMethyl N-tosyloxycarbaMate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 200mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS869111-41-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

869111-41-1 / (cyclohexylmethoxycarbonylamino) 4-methylbenzenesulfonate

Standard CAS: 869111-41-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
869111-41-1
Multi CAS
Yes
Molecular Formula
C15H21NO5S
Molecular Weight
327.400000
Exact Mass
327.114044
InChI
InChI=1S/C15H21NO5S/c1-12-7-9-14(10-8-12)22(18,19)21-16-15(17)20-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKey
ZVSGTYRLXHAITP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.51
TPSA
81.7

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
3.9
Consensus LogP
3.14
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly 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)
-2.64

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

Customers Also Viewed

Get In Touch

Contact Us