[email protected]
CAS 140853-10-7 (DHQD)2PHAL molecular structure lightbox
CAS RN: 140853-10-7

(DHQD)2PHAL

Product Availability

Choose a grade to view its available package options.

8 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 100g Out of stock Inquiry
Batchno.20250703 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250522 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260424 1kg Out of stock Inquiry
Batchno.20260211 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250408 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250418 500g Out of stock Inquiry
Batchno.20250211 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-051411
GET A QUOTE
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: 5g, 1g, 0.25g, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 140853-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
1g >98% 4 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Hong Kong Inquiry
25g >98% 1 In Stock Shanghai Inquiry
100g >98% 1 In Stock Shenzhen Inquiry

140853-10-7 / 1,4-bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine

Standard CAS: 140853-10-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
140853-10-7
Multi CAS
No
Molecular Formula
C48H54N6O4
Molecular Weight
779.000000
Exact Mass
778.420654
SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)O[C@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC
InChI
InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31-,32-,43+,44+,45-,46-/m0/s1
InChIKey
YUCBLVFHJWOYDN-HVLQGHBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
30
Fraction Csp3
0.46
Rotatable bonds
12
H-bond acceptors
10
Molar refractivity
226.6
TPSA
94.96

LogP / Solubility

WLOGP
9.22
MLOGP
8.19
XLogP3
8.8
Consensus LogP
8.74
Log S (ESOL)
-10.07
Class (ESOL)
Insoluble
Log S (Ali)
-12.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.82
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)
-0.92

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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] 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, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 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

Customers Also Viewed

Get In Touch

Contact Us