[email protected]
CAS 83159-19-7 methyl (3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride molecular structure lightbox
CAS RN: 83159-19-7

methyl (3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS83159-19-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

83159-19-7 / methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride

Standard CAS: 83159-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83159-19-7
Multi CAS
Yes
Molecular Formula
C13H15CLN2O2
Molecular Weight
266.720000
Exact Mass
266.082205
InChI
InChI=1S/C13H14N2O2.ClH/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11;/h2-5,11,14-15H,6-7H2,1H3;1H/t11-;/m0./s1
InChIKey
JQYBNWMURCUTIC-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.89
TPSA
54.12

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us