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CAS 185346-20-7 2 6-BIS[(4S 5S)-4-METHYL-5-PHENYL-2-OXA& molecular structure lightbox
CAS RN: 185346-20-7

2 6-BIS[(4S 5S)-4-METHYL-5-PHENYL-2-OXA&

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS185346-20-7
  • Purity/Analytical Methods: >99.0%
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185346-20-7 / (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 185346-20-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
185346-20-7
Multi CAS
No
Molecular Formula
C25H23N3O2
Molecular Weight
397.500000
Exact Mass
397.179027
SMILES
C[C@H]1[C@@H](OC(=N1)C2=NC(=CC=C2)C3=N[C@H]([C@@H](O3)C4=CC=CC=C4)C)C5=CC=CC=C5
InChI
InChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m0/s1
InChIKey
WAQJMWVRZVOTCH-ZCVTWQBDSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
116.77
TPSA
56.07

LogP / Solubility

WLOGP
4.89
MLOGP
4.33
XLogP3
4.5
Consensus LogP
4.57
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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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