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CAS 623559-03-5 N-Boc-4-[3-(4-Morpholinyl)propoxy]aniline molecular structure lightbox
CAS RN: 623559-03-5

N-Boc-4-[3-(4-Morpholinyl)propoxy]aniline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS623559-03-5
  • Purity/Analytical Methods: >99.0%
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623559-03-5 / tert-butyl N-[4-(3-morpholin-4-ylpropoxy)phenyl]carbamate

Standard CAS: 623559-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
623559-03-5
Multi CAS
No
Molecular Formula
C18H28N2O4
Molecular Weight
336.400000
Exact Mass
336.204907
InChI
InChI=1S/C18H28N2O4/c1-18(2,3)24-17(21)19-15-5-7-16(8-6-15)23-12-4-9-20-10-13-22-14-11-20/h5-8H,4,9-14H2,1-3H3,(H,19,21)
InChIKey
XUJJYFJOUHLMCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
93.67
TPSA
60.03

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
2.5
Consensus LogP
2.8
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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

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