CAS RN: 391860-55-2
(11BR, 11’BR)-4,4′-(OXYDI-2,1-PHENYLENE&
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS391860-55-2
- Purity/Analytical Methods: >99.0%
391860-55-2 / 13-[2-[2-(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)phenoxy]phenyl]-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
391860-55-2
Multi CAS
Yes
Molecular Formula
C52H32O5P2
Molecular Weight
798.800000
Exact Mass
798.172498
InChI
InChI=1S/C52H32O5P2/c1-5-17-37-33(13-1)25-29-43-49(37)50-38-18-6-2-14-34(38)26-30-44(50)55-58(54-43)47-23-11-9-21-41(47)53-42-22-10-12-24-48(42)59-56-45-31-27-35-15-3-7-19-39(35)51(45)52-40-20-8-4-16-36(40)28-32-46(52)57-59/h1-32H
InChIKey
UYGCVTAJLJBNHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
58
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
245.42
TPSA
61.79
LogP / Solubility
WLOGP
17.28
MLOGP
15.28
XLogP3
14.4
Consensus LogP
15.65
Log S (ESOL)
-16.14
Class (ESOL)
Insoluble
Log S (Ali)
-18.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.67
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)
4.67
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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