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CAS 372105-27-6 naMitecan molecular structure lightbox
CAS RN: 372105-27-6

naMitecan

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS372105-27-6
  • Purity/Analytical Methods: >99.0%
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372105-27-6 / (19S)-10-[(E)-2-aminoethoxyiminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Standard CAS: 372105-27-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
372105-27-6
Multi CAS
Yes
Molecular Formula
C23H22N4O5
Molecular Weight
434.400000
Exact Mass
434.159020
InChI
InChI=1S/C23H22N4O5/c1-2-23(30)17-9-19-20-15(11-27(19)21(28)16(17)12-31-22(23)29)14(10-25-32-8-7-24)13-5-3-4-6-18(13)26-20/h3-6,9-10,30H,2,7-8,11-12,24H2,1H3/b25-10+/t23-/m0/s1
InChIKey
IBTISPLPBBHVSU-UVOOVGFISA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
2
Molar refractivity
117.13
TPSA
129.03

LogP / Solubility

WLOGP
1.39
MLOGP
1.25
XLogP3
0.1
Consensus LogP
0.91
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-4.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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