![CAS 712352-04-0 S-N-Methyl-N-[(1S)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/712352-04-0.gif)
CAS RN: 712352-04-0
S-N-Methyl-N-[(1S)-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 records1 with current stock2 grade groups
- Product code: starshine_CAS712352-04-0
- Purity/Analytical Methods: >99.0%
712352-04-0 / N-methyl-N-[(1S)-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
712352-04-0
Multi CAS
Yes
Molecular Formula
C29H24NO2P
Molecular Weight
449.500000
Exact Mass
449.154466
InChI
InChI=1S/C29H24NO2P/c1-20(21-10-4-3-5-11-21)30(2)33-31-26-18-16-22-12-6-8-14-24(22)28(26)29-25-15-9-7-13-23(25)17-19-27(29)32-33/h3-20H,1-2H3/t20-/m0/s1
InChIKey
WZQUIEYZCMZJOB-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
29
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
140.33
TPSA
29.52
LogP / Solubility
WLOGP
8.93
MLOGP
7.88
XLogP3
8
Consensus LogP
8.27
Log S (ESOL)
-8.7
Class (ESOL)
Insoluble
Log S (Ali)
-9.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.35
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)
0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 712352-08-4 (+)-N,N-BIS[(1R)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(+)-N,N-BIS[(1R)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR)
- CAS RN: 712352-08-4
- Product Code: starshine_CAS712352-08-4
- Purity/Analytical method: >99.0%
-
-
1-ETHYLPYRIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
- CAS RN: 712354-97-7
- Product Code: starshine_CAS712354-97-7
- Purity/Analytical method: >99.0%
-
N-BUTYL-3-METHYLPYRIDINIUM DICYANAMIDE
- CAS RN: 712355-12-9
- Product Code: starshine_CAS712355-12-9
- Purity/Analytical method: >99.0%
-
(4-bromothiazol-2-ylmethyl)carbamic acid tert-butyl ester
- CAS RN: 713107-42-7
- Product Code: starshine_CAS713107-42-7
- Purity/Analytical method: >99.0%
-
![CAS 712352-08-4 (+)-N,N-BIS[(1R)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7808951.gif)
![CAS 713107-45-0 2-Bromoimidazo[5,1-b]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/713107-45-0.gif)