CAS RN: 1350653-20-1

vericiguat

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9 package records8 with current stock2 grade groups
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Batchno.20260125 2mg / 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
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Batchno.20260125 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250712 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250910 25g Out of stock Inquiry
Batchno.20250709 2mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250817 50mg In stock Shanghai Inquiry
Batchno.20250305 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1350653-20-1
  • Purity/Analytical Methods: >99.0%
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1350653-20-1 / methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate

Standard CAS: 1350653-20-1 Multi CAS: No

Basic Information

CAS
1350653-20-1
Multi CAS
No
Molecular Formula
C19H16F2N8O2
Molecular Weight
426.400000
Exact Mass
426.136428
SMILES
COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=C(C=N3)F)CC4=CC=CC=C4F)N
InChI
InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)
InChIKey
QZFHIXARHDBPBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
3
Molar refractivity
108.87
TPSA
146.86

LogP / Solubility

WLOGP
2.56
MLOGP
2.28
XLogP3
1.5
Consensus LogP
2.11
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H372 (94.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P270, P319, and P501

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