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CAS 2315262-68-9 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-di-1-naphthalenyl-, 4-oxide, (11bS)- molecular structure lightbox
CAS RN: 2315262-68-9

Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-di-1-naphthalenyl-, 4-oxide, (11bS)-

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260622 100mg In stock Shanghai Inquiry
Batchno.20250208 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260505 1g In stock Wuhan Inquiry
Batchno.20250226 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2315262-68-9
  • Purity/Analytical Methods: >99.0%
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2315262-68-9 / 13-hydroxy-10,16-dinaphthalen-2-yl-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

Standard CAS: 2315262-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2315262-68-9
Multi CAS
No
Molecular Formula
C40H33O4P
Molecular Weight
608.700000
Exact Mass
608.211647
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC7=CC=CC=C7C=C6)O)C8=CC9=CC=CC=C9C=C8
InChI
InChI=1S/C40H33O4P/c41-45(42)43-39-35(31-19-17-25-9-1-3-11-27(25)21-31)23-29-13-5-7-15-33(29)37(39)38-34-16-8-6-14-30(34)24-36(40(38)44-45)32-20-18-26-10-2-4-12-28(26)22-32/h1-4,9-12,17-24H,5-8,13-16H2,(H,41,42)
InChIKey
UQNXHNASBPBCCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
32
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
182.13
TPSA
55.76

LogP / Solubility

WLOGP
10.62
MLOGP
9.4
XLogP3
10.8
Consensus LogP
10.27
Log S (ESOL)
-10.7
Class (ESOL)
Insoluble
Log S (Ali)
-12.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.67
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)
1.11

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
7

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