![CAS 916329-20-9 4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepine 4-oxide compound with (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol(1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916329-20-9.gif)
CAS RN: 916329-20-9
4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepine 4-oxide compound with (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol(1:1)
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.20250129 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916329-20-9
- Purity/Analytical Methods: >99.0%
916329-20-9 / 1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol;13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Basic Information
CAS
916329-20-9
Multi CAS
Yes
Molecular Formula
BC52H44O6PRn2
Molecular Weight
903.800000
Exact Mass
902.212040
InChI
InChI=1S/C32H31BrN2O2.C20H13O4P/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3;21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h4-17,20-21,30,36H,18-19H2,1-3H3;1-12H,(H,21,22)/t30-,32-;/m1./s1
InChIKey
NVDCIIBNNUJBDP-UNCJQMLCSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
46
Fraction Csp3
0.13
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
253.27
TPSA
101.35
LogP / Solubility
WLOGP
12.66
MLOGP
11.23
XLogP3
12.66
Consensus LogP
12.18
Log S (ESOL)
-13.44
Class (ESOL)
Insoluble
Log S (Ali)
-16.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.76
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
8.5
Customers Also Viewed
-
-
9,9-Diheptylfluorene-2,7-diboronic acid
- CAS RN: 916336-19-1
- Product Code: starshine_CAS916336-19-1
- Purity/Analytical method: >99.0%
-
CLINODISIDE A
- CAS RN: 916347-31-4
- Product Code: starshine_CAS916347-31-4
- Purity/Analytical method: >99.0%
-
-
tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
- CAS RN: 916420-27-4
- Product Code: SSC-204982
-
2H-Pyrazol-3-ylamine
- CAS RN: 916420-28-5
- Product Code: starshine_CAS916420-28-5
- Purity/Analytical method: >99.0%
![CAS 916420-27-4 tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916420-27-4.gif)
