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CAS 1630760-60-9 (R)-DNMDP molecular structure lightbox
CAS RN: 1630760-60-9

(R)-DNMDP

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1630760-60-9
  • Purity/Analytical Methods: >99.0%
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1630760-60-9 / (4R)-3-[4-(diethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Standard CAS: 1630760-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630760-60-9
Multi CAS
No
Molecular Formula
C15H20N4O3
Molecular Weight
304.340000
Exact Mass
304.153541
SMILES
CCN(CC)C1=C(C=C(C=C1)C2=NNC(=O)C[C@H]2C)[N+](=O)[O-]
InChI
InChI=1S/C15H20N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)/t10-/m1/s1
InChIKey
YOSSKNZHADPXJX-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.12
TPSA
87.84

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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