![CAS 1642865-72-2 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, 8,9,10,11,12,13,14,15-octahydro-2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-, (11bS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1642865-72-2.gif)
CAS RN: 1642865-72-2
Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, 8,9,10,11,12,13,14,15-octahydro-2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-, (11bS)-
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251116 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251103 | 1g | Out of stock | Inquiry | ||
| Batchno.20251220 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251002 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250108 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1642865-72-2
- Purity/Analytical Methods: >99.0%
1642865-72-2 / 10,16-diphenyl-N,N-bis[(1R)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine
Basic Information
CAS
1642865-72-2
Multi CAS
No
Molecular Formula
C48H46NO2P
Molecular Weight
699.900000
Exact Mass
699.326617
SMILES
C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC4=C(C=C5CCCCC5=C4C6=C7CCCCC7=CC(=C6O3)C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C48H46NO2P/c1-33(35-19-7-3-8-20-35)49(34(2)36-21-9-4-10-22-36)52-50-47-43(37-23-11-5-12-24-37)31-39-27-15-17-29-41(39)45(47)46-42-30-18-16-28-40(42)32-44(48(46)51-52)38-25-13-6-14-26-38/h3-14,19-26,31-34H,15-18,27-30H2,1-2H3/t33-,34-/m1/s1
InChIKey
IURXNEVILFDRGW-KKLWWLSJSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
39
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
218.41
TPSA
29.52
LogP / Solubility
WLOGP
13.84
MLOGP
12.24
XLogP3
13.4
Consensus LogP
13.16
Log S (ESOL)
-12.99
Class (ESOL)
Insoluble
Log S (Ali)
-15.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.54
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)
2.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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