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CAS 486460-23-5 Sitagliptin N-Boc IMpurity molecular structure lightbox
CAS RN: 486460-23-5

Sitagliptin N-Boc IMpurity

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-155345
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 486460-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

486460-23-5 / tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

Standard CAS: 486460-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
486460-23-5
Multi CAS
Yes
Molecular Formula
C21F6H23N5O3
Molecular Weight
507.400000
Exact Mass
507.170509
InChI
InChI=1S/C21H23F6N5O3/c1-20(2,3)35-19(34)28-12(6-11-7-14(23)15(24)9-13(11)22)8-17(33)31-4-5-32-16(10-31)29-30-18(32)21(25,26)27/h7,9,12H,4-6,8,10H2,1-3H3,(H,28,34)/t12-/m1/s1
InChIKey
RHCVXZBZEKGRQP-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
11
Fraction Csp3
0.52
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
108.24
TPSA
89.35

LogP / Solubility

WLOGP
3.58
MLOGP
3.19
XLogP3
2.3
Consensus LogP
3.02
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.27

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
3

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