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CAS 1702967-37-0 PSMA-617 molecular structure lightbox
CAS RN: 1702967-37-0

PSMA-617

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg In stock Shanghai Inquiry
Batchno.20250809 10mg In stock Shanghai Inquiry
Batchno.20260615 1mg In stock Shanghai Inquiry
Batchno.20260320 25mg In stock Shanghai Inquiry
Batchno.20251016 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250530 5mg In stock Shanghai Inquiry
  • Product code: SSC-074898
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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: 0.1g
  • 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 1702967-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1702967-37-0 / (2S)-2-[[(1S)-1-carboxy-5-[[(2S)-3-naphthalen-2-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

Standard CAS: 1702967-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1702967-37-0
Multi CAS
No
Molecular Formula
C49H71N9O16
Molecular Weight
1042.100000
Exact Mass
1041.501877
SMILES
C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1
InChIKey
JBHPLHATEXGMQR-VLOIPPKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
74
Aromatic heavy atom count
10
Fraction Csp3
0.59
Rotatable bonds
27
H-bond acceptors
14
H-bond donors
11
Molar refractivity
264.95
TPSA
365.19

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.23
XLogP3
-8.2
Consensus LogP
-2.94
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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