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CAS 850796-15-5 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, N,N-bis[(1S)-1-(4-methoxyphenyl)ethyl]-, (11bS)- molecular structure lightbox
CAS RN: 850796-15-5

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

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260528 100mg In stock Shanghai Inquiry
Batchno.20250506 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251108 1g In stock Shanghai Inquiry
Batchno.20250605 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS850796-15-5
  • Purity/Analytical Methods: >99.0%
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850796-15-5 / N,N-bis[(1S)-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: 850796-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850796-15-5
Multi CAS
Yes
Molecular Formula
C38H34NO4P
Molecular Weight
599.700000
Exact Mass
599.222546
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/t25-,26-/m0/s1
InChIKey
WZONQGCZSGKCCW-UIOOFZCWSA-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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