[email protected]
CAS 1593-77-7 DODEMORPH molecular structure lightbox
CAS RN: 1593-77-7

DODEMORPH

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251003 250mg In stock Inquiry
  • Product code: starshine_CAS1593-77-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1593-77-7 / 4-cyclododecyl-2,6-dimethylmorpholine

Standard CAS: 1593-77-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1593-77-7
Multi CAS
No
Molecular Formula
C18H35NO
Molecular Weight
281.500000
Exact Mass
281.271865
SMILES
CC1CN(CC(O1)C)C2CCCCCCCCCCC2
InChI
InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3
InChIKey
JMXKCYUTURMERF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
86.16
TPSA
12.47

LogP / Solubility

WLOGP
4.77
MLOGP
4.21
XLogP3
5.8
Consensus LogP
4.93
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity] H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P333+P317, P362+P364, P363, P391, P405, and P501 P203, P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us