CAS RN: 906093-29-6

Teneligliptin

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg Out of stock Inquiry
Batchno.20250128 10mg In stock Tianjin Inquiry
Batchno.20251226 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250407 1mg In stock Shanghai, Tianjin Inquiry
Batchno.20251117 250mg In stock Chengdu Inquiry
Batchno.20250501 50mg In stock Tianjin Inquiry
Batchno.20250515 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS906093-29-6
  • Purity/Analytical Methods: >99.0%
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906093-29-6 / [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrobromide

Standard CAS: 906093-29-6 Multi CAS: Yes

Basic Information

CAS
906093-29-6
Multi CAS
Yes
Molecular Formula
BC22H31ORn6S
Molecular Weight
507.500000
Exact Mass
506.146340
InChI
InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
InChIKey
WGRQANOPCQRCME-PMACEKPBSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
11
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
131.64
TPSA
56.64

LogP / Solubility

WLOGP
2.14
MLOGP
1.92
XLogP3
2.14
Consensus LogP
2.07
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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