[email protected]
CAS 1630973-03-3 2-(diphenylphosphino)-N-[(8α,9S)-6′-methoxycinchonan-9-yl]-Benzamide molecular structure lightbox
CAS RN: 1630973-03-3

2-(diphenylphosphino)-N-[(8α,9S)-6′-methoxycinchonan-9-yl]-Benzamide

Product Availability

Choose a grade to view its available package options.

6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250118 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 100mg Out of stock Inquiry
Batchno.20250527 1g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260401 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251002 50mg Out of stock Inquiry
Batchno.20250309 5g Out of stock Inquiry
  • Product code: SSC-070792
GET A QUOTE
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
Request Bulk Quote

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 1630973-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1630973-03-3 / 2-diphenylphosphanyl-N-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]benzamide

Standard CAS: 1630973-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630973-03-3
Multi CAS
No
Molecular Formula
C39H38N3O2P
Molecular Weight
611.700000
Exact Mass
611.270164
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C39H38N3O2P/c1-3-27-26-42-23-21-28(27)24-36(42)38(32-20-22-40-35-19-18-29(44-2)25-34(32)35)41-39(43)33-16-10-11-17-37(33)45(30-12-6-4-7-13-30)31-14-8-5-9-15-31/h3-20,22,25,27-28,36,38H,1,21,23-24,26H2,2H3,(H,41,43)/t27-,28-,36-,38-/m0/s1
InChIKey
AXFIWPFNGAOZKQ-KGNYWXMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
28
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
185.42
TPSA
54.46

LogP / Solubility

WLOGP
6.37
MLOGP
5.65
XLogP3
7.2
Consensus LogP
6.41
Log S (ESOL)
-7.51
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us