![CAS 201732-49-2 “(11bS)- 2,6-dimethyl-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201732-49-2.gif)
CAS RN: 201732-49-2
“(11bS)- 2,6-dimethyl-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS201732-49-2
- Purity/Analytical Methods: >99.0%
201732-49-2 / 10,16-dimethyl-N,N-bis(1-phenylethyl)-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
201732-49-2
Multi CAS
No
Molecular Formula
C38H34NO2P
Molecular Weight
567.700000
Exact Mass
567.232716
SMILES
CC1=CC2=CC=CC=C2C3=C1OP(OC4=C3C5=CC=CC=C5C=C4C)N(C(C)C6=CC=CC=C6)C(C)C7=CC=CC=C7
InChI
InChI=1S/C38H34NO2P/c1-25-23-31-19-11-13-21-33(31)35-36-34-22-14-12-20-32(34)24-26(2)38(36)41-42(40-37(25)35)39(27(3)29-15-7-5-8-16-29)28(4)30-17-9-6-10-18-30/h5-24,27-28H,1-4H3
InChIKey
OMAJFQDTQQIPJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
35
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
178.74
TPSA
29.52
LogP / Solubility
WLOGP
11.67
MLOGP
10.32
XLogP3
10.6
Consensus LogP
10.86
Log S (ESOL)
-11
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.64
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)
2.11
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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