[email protected]
CAS 1956309-44-6 Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1956309-44-6

Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250311 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260225 100mg In stock Shanghai Inquiry
Batchno.20250104 1g In stock Shanghai Inquiry
Batchno.20260225 250mg In stock Shanghai Inquiry
Batchno.20250810 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1956309-44-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1956309-44-6 / methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

Standard CAS: 1956309-44-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1956309-44-6
Multi CAS
No
Molecular Formula
C12H16ClNO2
Molecular Weight
241.710000
Exact Mass
241.086956
SMILES
COC(=O)C1=CC2=C(CCCC2N)C=C1.Cl
InChI
InChI=1S/C12H15NO2.ClH/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9;/h5-7,11H,2-4,13H2,1H3;1H
InChIKey
WHSIBJZKBMEFNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.9
TPSA
52.32

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us