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CAS 1189923-38-3 Trimethoprim-d3 molecular structure lightbox
CAS RN: 1189923-38-3

Trimethoprim-d3

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 1mg In stock Shanghai Inquiry
Batchno.20250503 2mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1189923-38-3
  • Purity/Analytical Methods: >99.0%
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1189923-38-3 / 5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine

trimethoprim | Proloprim | Trimpex

Standard CAS: 1189923-38-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189923-38-3
Multi CAS
Yes
Molecular Formula
C14H18N4O3
Molecular Weight
293.340000
Exact Mass
293.156721
SMILES
[2H]C([2H])([2H])OC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/i3D3
InChIKey
IEDVJHCEMCRBQM-HPRDVNIFSA-N
Synonyms
trimethoprim Proloprim Trimpex 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine Trimetoprim

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
79.76
TPSA
105.51

LogP / Solubility

WLOGP
1.26
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.09
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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