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CAS 142878-12-4 U-73343 molecular structure lightbox
CAS RN: 142878-12-4

U-73343

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Batchno.20260621 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS142878-12-4
  • Purity/Analytical Methods: >99.0%
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142878-12-4 / 1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrolidine-2,5-dione

Standard CAS: 142878-12-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
142878-12-4
Multi CAS
No
Molecular Formula
C29H42N2O3
Molecular Weight
466.700000
Exact Mass
466.319543
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCCN4C(=O)CCC4=O)CCC5=C3C=CC(=C5)OC
InChI
InChI=1S/C29H42N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,19,23-26,30H,3-7,9,11-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
InChIKey
CJHWFIUASFBCKN-ZRJUGLEFSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
133.82
TPSA
58.64

LogP / Solubility

WLOGP
5.22
MLOGP
4.62
XLogP3
3.6
Consensus LogP
4.48
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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