[email protected]
CAS 1334498-77-9 2-aMino-6-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1334498-77-9

2-aMino-6-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1334498-77-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1334498-77-9 / 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

Standard CAS: 1334498-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334498-77-9
Multi CAS
No
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
SMILES
CN1CCC2=NC(=C(C=C2C1)C(=O)O)N
InChI
InChI=1S/C10H13N3O2/c1-13-3-2-8-6(5-13)4-7(10(14)15)9(11)12-8/h4H,2-3,5H2,1H3,(H2,11,12)(H,14,15)
InChIKey
NLQOBLRMWJXPJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.65
TPSA
79.45

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
-1.8
Consensus LogP
-0.38
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us