![CAS 851870-89-8 Bis{2-[(11bR)-3,5-dihydro-4H-dinaphtho[2,1-c:1′,2′-e]phosphepin-4-yl]ethyl}amine, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851870-89-8.gif)
CAS RN: 851870-89-8
Bis{2-[(11bR)-3,5-dihydro-4H-dinaphtho[2,1-c:1′,2′-e]phosphepin-4-yl]ethyl}amine, min. 97%
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251102 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS851870-89-8
- Purity/Analytical Methods: >99.0%
851870-89-8 / 2-(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)-N-[2-(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)ethyl]ethanamine
Basic Information
CAS
851870-89-8
Multi CAS
No
Molecular Formula
C48H41NP2
Molecular Weight
693.800000
Exact Mass
693.271424
InChI
InChI=1S/C48H41NP2/c1-5-13-41-33(9-1)17-21-37-29-50(30-38-22-18-34-10-2-6-14-42(34)46(38)45(37)41)27-25-49-26-28-51-31-39-23-19-35-11-3-7-15-43(35)47(39)48-40(32-51)24-20-36-12-4-8-16-44(36)48/h1-24,49H,25-32H2
InChIKey
VMLOJVKKOABMEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
40
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
225.04
TPSA
12.03
LogP / Solubility
WLOGP
12.91
MLOGP
11.42
XLogP3
9.6
Consensus LogP
11.31
Log S (ESOL)
-12.46
Class (ESOL)
Insoluble
Log S (Ali)
-14.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.61
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)
2.22
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
7.5
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