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CAS 1673534-76-3 PD-1-IN-1 molecular structure lightbox
CAS RN: 1673534-76-3

PD-1-IN-1

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260404 10mg In stock Shanghai Inquiry
Batchno.20251112 1mg Out of stock Inquiry
Batchno.20250224 25mg In stock Shanghai Inquiry
Batchno.20250308 50mg Out of stock Inquiry
Batchno.20250417 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 10mg In stock Shanghai Inquiry
Batchno.20260501 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1673534-76-3
  • Purity/Analytical Methods: >99.0%
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1673534-76-3 / (2S,3R)-2-[[(1S)-3-amino-1-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid

Standard CAS: 1673534-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1673534-76-3
Multi CAS
No
Molecular Formula
C12H20N6O7
Molecular Weight
360.320000
Exact Mass
360.139347
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)N[C@@H](CC(=O)N)C1=NC(=NO1)[C@H](CO)N)O
InChI
InChI=1S/C12H20N6O7/c1-4(20)8(11(22)23)16-12(24)15-6(2-7(14)21)10-17-9(18-25-10)5(13)3-19/h4-6,8,19-20H,2-3,13H2,1H3,(H2,14,21)(H,22,23)(H2,15,16,24)/t4-,5+,6+,8+/m1/s1
InChIKey
HFOBENSCBRZVSP-LKXGYXEUSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
7
Molar refractivity
79.64
TPSA
226.92

LogP / Solubility

WLOGP
-2.89
MLOGP
-2.52
XLogP3
-6.7
Consensus LogP
-4.04
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.97

Drug-likeness / Medicinal Chemistry

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

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