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CAS 1268169-10-3 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, N,N-bis[(1R)-1-(4-methoxyphenyl)ethyl]-, (11bR)- molecular structure lightbox
CAS RN: 1268169-10-3

Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, N,N-bis[(1R)-1-(4-methoxyphenyl)ethyl]-, (11bR)-

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20260315 100mg Out of stock 8-10 business days Inquiry
Batchno.20250314 1g In stock Shanghai Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1268169-10-3
  • Purity/Analytical Methods: >99.0%
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1268169-10-3 / N,N-bis[1-(4-methoxyphenyl)ethyl]-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-amine

Standard CAS: 1268169-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268169-10-3
Multi CAS
No
Molecular Formula
C38H34NO4P
Molecular Weight
599.700000
Exact Mass
599.222546
SMILES
CC(C1=CC=C(C=C1)OC)N(C(C)C2=CC=C(C=C2)OC)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
InChI
InChI=1S/C38H34NO4P/c1-25(27-13-19-31(40-3)20-14-27)39(26(2)28-15-21-32(41-4)22-16-28)44-42-35-23-17-29-9-5-7-11-33(29)37(35)38-34-12-8-6-10-30(34)18-24-36(38)43-44/h5-26H,1-4H3
InChIKey
WZONQGCZSGKCCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
35
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
182.37
TPSA
47.98

LogP / Solubility

WLOGP
11.07
MLOGP
9.79
XLogP3
9.8
Consensus LogP
10.22
Log S (ESOL)
-10.66
Class (ESOL)
Insoluble
Log S (Ali)
-12.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.59
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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