CAS RN: 349114-63-2
(11BR, 11’BR)-4,4′-(9,9-DIMETHYL-9H-XAN&
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS349114-63-2
- Purity/Analytical Methods: >99.0%
349114-63-2 / 13-[5-(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-yl)-9,9-dimethylxanthen-4-yl]-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-decaene
Basic Information
CAS
349114-63-2
Multi CAS
Yes
Molecular Formula
C55H36O5P2
Molecular Weight
838.800000
Exact Mass
838.203798
InChI
InChI=1S/C55H36O5P2/c1-55(2)41-21-11-23-47(61-57-43-29-25-33-13-3-7-17-37(33)49(43)50-38-18-8-4-14-34(38)26-30-44(50)58-61)53(41)56-54-42(55)22-12-24-48(54)62-59-45-31-27-35-15-5-9-19-39(35)51(45)52-40-20-10-6-16-36(40)28-32-46(52)60-62/h3-32H,1-2H3
InChIKey
DXZANFKSPAISOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
58
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
257.54
TPSA
61.79
LogP / Solubility
WLOGP
17.92
MLOGP
15.84
XLogP3
15.3
Consensus LogP
16.35
Log S (ESOL)
-16.89
Class (ESOL)
Insoluble
Log S (Ali)
-19.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.22
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)
4.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
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