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CAS 2212020-52-3 GLP-1 receptor agonist 1 molecular structure lightbox
CAS RN: 2212020-52-3

GLP-1 receptor agonist 1

  • Product code: SSC-106431
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2212020-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >98% 5 In Stock Hong Kong Inquiry
0.25g >98% 5 In Stock Hong Kong Inquiry
1g -- 2 In Stock Beijing Inquiry
5g -- 2 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry

2212020-52-3 / 3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one

Standard CAS: 2212020-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2212020-52-3
Multi CAS
No
Molecular Formula
C48H48F2N10O5
Molecular Weight
883.000000
Exact Mass
882.377721
SMILES
C[C@H]1C[C@]1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)[C@H]5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7[C@@H]6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C)F)C1=CC(=C(C(=C1)C)F)C
InChI
InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1
InChIKey
USUWIEBBBWHKNI-KHIFEHGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Aromatic heavy atom count
39
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
1
Molar refractivity
237.23
TPSA
155.93

LogP / Solubility

WLOGP
7.44
MLOGP
6.63
XLogP3
6.8
Consensus LogP
6.96
Log S (ESOL)
-9.98
Class (ESOL)
Insoluble
Log S (Ali)
-12.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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