[email protected]
CAS 1673546-62-7 Linagliptin Impurity F molecular structure lightbox
CAS RN: 1673546-62-7

Linagliptin Impurity F

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1673546-62-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1673546-62-7 / N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]-2,2,2-trifluoroacetamide

Standard CAS: 1673546-62-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1673546-62-7
Multi CAS
No
Molecular Formula
C27H27F3N8O3
Molecular Weight
568.500000
Exact Mass
568.215821
SMILES
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)C(F)(F)F)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
InChI
InChI=1S/C27H27F3N8O3/c1-4-5-13-37-21-22(34-25(37)36-12-8-9-17(14-36)32-24(40)27(28,29)30)35(3)26(41)38(23(21)39)15-20-31-16(2)18-10-6-7-11-19(18)33-20/h6-7,10-11,17H,8-9,12-15H2,1-3H3,(H,32,40)/t17-/m1/s1
InChIKey
IQUUOPZPFJAZJX-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
19
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
145.49
TPSA
119.94

LogP / Solubility

WLOGP
1.87
MLOGP
1.69
XLogP3
3.3
Consensus LogP
2.29
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us