[email protected]
CAS 1253792-57-2 Methyl5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylatehydrochloride molecular structure lightbox
CAS RN: 1253792-57-2

Methyl5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylatehydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1253792-57-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1253792-57-2 / methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride

Standard CAS: 1253792-57-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1253792-57-2
Multi CAS
No
Molecular Formula
C10H13ClN2O2
Molecular Weight
228.670000
Exact Mass
228.066555
SMILES
COC(=O)C1=CC2=C(CNCC2)N=C1.Cl
InChI
InChI=1S/C10H12N2O2.ClH/c1-14-10(13)8-4-7-2-3-11-6-9(7)12-5-8;/h4-5,11H,2-3,6H2,1H3;1H
InChIKey
PUXNZPFRFJIUCF-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
1
Molar refractivity
58.24
TPSA
51.22

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

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