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CAS 1643125-33-0 SAfit2 molecular structure lightbox
CAS RN: 1643125-33-0

SAfit2

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 5mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-071730
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 1643125-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >98% 1 In Stock Shanghai Inquiry
0.1g >98% 1 In Stock Beijing Inquiry
0.25g >98% 1 In Stock Shanghai Inquiry
1g >98% 0 Out of Stock Shenzhen Inquiry

1643125-33-0 / [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate

Standard CAS: 1643125-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1643125-33-0
Multi CAS
No
Molecular Formula
C46H62N2O10
Molecular Weight
803.000000
Exact Mass
802.440446
SMILES
COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](C5CCCCC5)C6=CC(=C(C(=C6)OC)OC)OC)OC
InChI
InChI=1S/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1
InChIKey
ZDBWLRLGUBSLPG-FDHYQTMZSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
18
H-bond acceptors
11
Molar refractivity
220.66
TPSA
114.46

LogP / Solubility

WLOGP
7.4
MLOGP
6.59
XLogP3
8.2
Consensus LogP
7.4
Log S (ESOL)
-8.52
Class (ESOL)
Insoluble
Log S (Ali)
-11.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.18
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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