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CAS 29606-06-2 TriMethopriM IMpurity C molecular structure lightbox
CAS RN: 29606-06-2

TriMethopriM IMpurity C

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 25mg / 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS29606-06-2
  • Purity/Analytical Methods: >99.0%
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29606-06-2 / (2,4-diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol

Standard CAS: 29606-06-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29606-06-2
Multi CAS
Yes
Molecular Formula
C14H18N4O4
Molecular Weight
306.320000
Exact Mass
306.132805
InChI
InChI=1S/C14H18N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6,11,19H,1-3H3,(H4,15,16,17,18)
InChIKey
ZQRSRBQVQNNQKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
81.02
TPSA
125.74

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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