![CAS 2635339-85-2 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-bis(4-methoxyphenyl)-, 4-oxide, (11bS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2635339-85-2.gif)
CAS RN: 2635339-85-2
Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-bis(4-methoxyphenyl)-, 4-oxide, (11bS)-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS2635339-85-2
- Purity/Analytical Methods: >99.0%
2635339-85-2 / 13-hydroxy-10,16-bis(4-methoxyphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
Basic Information
CAS
2635339-85-2
Multi CAS
No
Molecular Formula
C34H33O6P
Molecular Weight
568.600000
Exact Mass
568.201476
SMILES
COC1=CC=C(C=C1)C2=C3C(=C4CCCCC4=C2)C5=C6CCCCC6=CC(=C5OP(=O)(O3)O)C7=CC=C(C=C7)OC
InChI
InChI=1S/C34H33O6P/c1-37-25-15-11-21(12-16-25)29-19-23-7-3-5-9-27(23)31-32-28-10-6-4-8-24(28)20-30(22-13-17-26(38-2)18-14-22)34(32)40-41(35,36)39-33(29)31/h11-20H,3-10H2,1-2H3,(H,35,36)
InChIKey
SXEMSRLLFMNTLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
160.22
TPSA
74.22
LogP / Solubility
WLOGP
8.33
MLOGP
7.38
XLogP3
8.3
Consensus LogP
8
Log S (ESOL)
-8.78
Class (ESOL)
Insoluble
Log S (Ali)
-10.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.75
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.27
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
6
Customers Also Viewed
-
(1R,2R)-N1,N1-Dimethyl-1,2-diphenylethane-1,2-diamine dihydrochloride
- CAS RN: 2635339-86-3
- Product Code: starshine_CAS2635339-86-3
- Purity/Analytical method: >99.0%
-
2,7-Difluoro-9-mesityl-10-methylacridin-10-ium tetrafluoroborate
- CAS RN: 2635339-88-5
- Product Code: SSC-123797
-
Tetrakis[N-tetrafluorophthaloyl-(S)-tert-leucinato]dirhodium Bis(ethyl Acetate) Adduct
- CAS RN: 2635339-90-9
- Product Code: starshine_CAS2635339-90-9
- Purity/Analytical method: >99.0%
-
(2-amino-3,5-dichloro-6-fluorophenyl)boronic acid
- CAS RN: 2638502-53-9
- Product Code: starshine_CAS2638502-53-9
- Purity/Analytical method: >99.0%
-
8-methoxyisoquinoline-6-carboxylic acid
- CAS RN: 2639204-09-2
- Product Code: starshine_CAS2639204-09-2
- Purity/Analytical method: >99.0%
-
![CAS 2635339-90-9 Tetrakis[N-tetrafluorophthaloyl-(S)-tert-leucinato]dirhodium Bis(ethyl Acetate) Adduct molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2635339-90-9.gif)
