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CAS 1630973-06-6 N-[(8α,9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]-2-(diphenylphosphino)-Benzamide molecular structure lightbox
CAS RN: 1630973-06-6

N-[(8α,9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]-2-(diphenylphosphino)-Benzamide

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260127 100mg In stock Tianjin, Wuhan Inquiry
Batchno.20260609 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251001 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250522 50mg In stock Wuhan, Chengdu Inquiry
Batchno.20260225 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250702 5g Out of stock Inquiry
  • Product code: SSC-070793
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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 1630973-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1630973-06-6 / 2-diphenylphosphanyl-N-[(S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]benzamide

Standard CAS: 1630973-06-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630973-06-6
Multi CAS
No
Molecular Formula
C39H40N3O2P
Molecular Weight
613.700000
Exact Mass
613.285815
SMILES
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C39H40N3O2P/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/h4-20,22,25,27-28,36,38H,3,21,23-24,26H2,1-2H3,(H,41,43)/t27-,28-,36-,38-/m0/s1
InChIKey
MSDLKHFBQOXJPJ-KGNYWXMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
28
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
185.52
TPSA
54.46

LogP / Solubility

WLOGP
6.59
MLOGP
5.85
XLogP3
7.4
Consensus LogP
6.61
Log S (ESOL)
-7.67
Class (ESOL)
Insoluble
Log S (Ali)
-9.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.2
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)
-1.78

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

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