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CAS 1261393-15-0 Apixaban-13C-D3 molecular structure lightbox
CAS RN: 1261393-15-0

Apixaban-13C-D3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1261393-15-0
  • Purity/Analytical Methods: >99.0%
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1261393-15-0 / 7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuterio(113C)methoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

Standard CAS: 1261393-15-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1261393-15-0
Multi CAS
No
Molecular Formula
C25H25N5O4
Molecular Weight
463.500000
Exact Mass
463.212839
SMILES
[2H][13C]([2H])([2H])OC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
InChI
InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)/i1+1D3
InChIKey
QNZCBYKSOIHPEH-KQORAOOSSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
126.66
TPSA
110.76

LogP / Solubility

WLOGP
2.7
MLOGP
2.41
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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