![CAS 1619901-87-9 “(2S)-1-(11bS)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl-1,2,3,4-tetrahydro-2-methylquinoline,99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1619901-87-9.gif)
CAS RN: 1619901-87-9
“(2S)-1-(11bS)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl-1,2,3,4-tetrahydro-2-methylquinoline,99%e.e.”
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-069467
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1619901-87-9 / (2S)-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-3,4-dihydro-2H-quinoline
Basic Information
CAS
1619901-87-9
Multi CAS
No
Molecular Formula
C30H24NO2P
Molecular Weight
461.500000
Exact Mass
461.154466
SMILES
C[C@H]1CCC2=CC=CC=C2N1P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
InChI
InChI=1S/C30H24NO2P/c1-20-14-15-23-10-4-7-13-26(23)31(20)34-32-27-18-16-21-8-2-5-11-24(21)29(27)30-25-12-6-3-9-22(25)17-19-28(30)33-34/h2-13,16-20H,14-15H2,1H3/t20-/m0/s1
InChIKey
YFCZGDQGHCIHNB-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
29
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
143.44
TPSA
29.52
LogP / Solubility
WLOGP
9.2
MLOGP
8.13
XLogP3
8.7
Consensus LogP
8.68
Log S (ESOL)
-9.06
Class (ESOL)
Insoluble
Log S (Ali)
-9.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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