![CAS 936010-61-6 “(11bR)-N,N-dimethyl-2,6-diphenyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936010-61-6.gif)
CAS RN: 936010-61-6
“(11bR)-N,N-dimethyl-2,6-diphenyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS936010-61-6
- Purity/Analytical Methods: >99.0%
936010-61-6 / N,N-dimethyl-10,16-diphenyl-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-amine
Basic Information
CAS
936010-61-6
Multi CAS
Yes
Molecular Formula
C34H26NO2P
Molecular Weight
511.500000
Exact Mass
511.170116
InChI
InChI=1S/C34H26NO2P/c1-35(2)38-36-33-29(23-13-5-3-6-14-23)21-25-17-9-11-19-27(25)31(33)32-28-20-12-10-18-26(28)22-30(34(32)37-38)24-15-7-4-8-16-24/h3-22H,1-2H3
InChIKey
AHZJWCMLBZSNSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
35
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
162.27
TPSA
29.52
LogP / Solubility
WLOGP
10.13
MLOGP
8.95
XLogP3
9.3
Consensus LogP
9.46
Log S (ESOL)
-9.88
Class (ESOL)
Insoluble
Log S (Ali)
-11.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.75
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)
1.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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