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CAS 845827-15-8 NDHHMOUAQBVFNB-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 845827-15-8

NDHHMOUAQBVFNB-UHFFFAOYSA-N

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS845827-15-8
  • Purity/Analytical Methods: >99.0%
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845827-15-8 / methyl 6-pyridin-3-ylpyridine-2-carboxylate

Standard CAS: 845827-15-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
845827-15-8
Multi CAS
Yes
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
InChI
InChI=1S/C12H10N2O2/c1-16-12(15)11-6-5-9(8-14-11)10-4-2-3-7-13-10/h2-8H,1H3
InChIKey
NDHHMOUAQBVFNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.81
TPSA
52.08

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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