[email protected]
CAS 1228182-50-0 BaquilopriM-D6 molecular structure lightbox
CAS RN: 1228182-50-0

BaquilopriM-D6

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260219 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1228182-50-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1228182-50-0 / 5-[[8-[bis(trideuteriomethyl)amino]-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine

Standard CAS: 1228182-50-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1228182-50-0
Multi CAS
No
Molecular Formula
C17H20N6
Molecular Weight
314.420000
Exact Mass
314.212605
SMILES
[2H]C([2H])([2H])N(C1=C2C(=C(C=C1C)CC3=CN=C(N=C3N)N)C=CC=N2)C([2H])([2H])[2H]
InChI
InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)/i2D3,3D3
InChIKey
AIOWJIMWVFWROP-XERRXZQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
94.47
TPSA
93.95

LogP / Solubility

WLOGP
2.15
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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