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CAS 149725-81-5 (DHQD)2PYR molecular structure lightbox
CAS RN: 149725-81-5

(DHQD)2PYR

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 1g In stock Inquiry
Batchno.20260301 250mg In stock Inquiry
Batchno.20260410 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100g Out of stock Inquiry
Batchno.20250711 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260421 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250926 25g In stock Wuhan Inquiry
Batchno.20250102 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-059672
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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: ＞97%
  • 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 149725-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

149725-81-5 / 4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline

Standard CAS: 149725-81-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149725-81-5
Multi CAS
No
Molecular Formula
C56H60N6O4
Molecular Weight
881.100000
Exact Mass
880.467604
SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)O[C@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1
InChI
InChI=1S/C56H60N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,52-53H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36-,39-,40-,49+,50+,52-,53-/m0/s1
InChIKey
SWKRDCRSJPRVNF-DOGDSVMGSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Aromatic heavy atom count
38
Fraction Csp3
0.39
Rotatable bonds
14
H-bond acceptors
10
Molar refractivity
259.96
TPSA
94.96

LogP / Solubility

WLOGP
11.41
MLOGP
10.12
XLogP3
11.2
Consensus LogP
10.91
Log S (ESOL)
-11.99
Class (ESOL)
Insoluble
Log S (Ali)
-15.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.53
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

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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