[email protected]
CAS 1262129-47-4 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-2,6-bis(10-phenyl-9-anthracenyl)-, 4-oxide, (11bR)- molecular structure lightbox
CAS RN: 1262129-47-4

Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-2,6-bis(10-phenyl-9-anthracenyl)-, 4-oxide, (11bR)-

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 100mg In stock Shanghai Inquiry
Batchno.20250508 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20250216 1g In stock Shanghai Inquiry
Batchno.20260202 250mg In stock Shanghai Inquiry
Batchno.20250630 25mg In stock Shanghai Inquiry
Batchno.20250623 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS1262129-47-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1262129-47-4 / 13-hydroxy-10,16-bis(10-phenylanthracen-9-yl)-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

Standard CAS: 1262129-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262129-47-4
Multi CAS
No
Molecular Formula
C60H37O4P
Molecular Weight
852.900000
Exact Mass
852.242947
SMILES
C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=CC=CC=C6C7=C5OP(=O)(OC8=C7C9=CC=CC=C9C=C8C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC=CC=C1)O
InChI
InChI=1S/C60H37O4P/c61-65(62)63-59-51(55-47-31-15-11-27-43(47)53(37-19-3-1-4-20-37)44-28-12-16-32-48(44)55)35-39-23-7-9-25-41(39)57(59)58-42-26-10-8-24-40(42)36-52(60(58)64-65)56-49-33-17-13-29-45(49)54(38-21-5-2-6-22-38)46-30-14-18-34-50(46)56/h1-36H,(H,61,62)
InChIKey
ALIMLQCMVDKKHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Aromatic heavy atom count
60
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
269.74
TPSA
55.76

LogP / Solubility

WLOGP
16.81
MLOGP
14.87
XLogP3
16.3
Consensus LogP
15.99
Log S (ESOL)
-16.14
Class (ESOL)
Insoluble
Log S (Ali)
-18.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.64
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)
4.01

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
9

Customers Also Viewed

Get In Touch

Contact Us