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CAS 340700-94-9 “(11bR)- 2,6-dimethyl-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure lightbox
CAS RN: 340700-94-9

“(11bR)- 2,6-dimethyl-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251202 100mg In stock Shanghai Inquiry
Batchno.20250318 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250131 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251103 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS340700-94-9
  • Purity/Analytical Methods: >99.0%
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340700-94-9 / 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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: 340700-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340700-94-9
Multi CAS
Yes
Molecular Formula
C38H34NO2P
Molecular Weight
567.700000
Exact Mass
567.232716
InChI
InChI=1S/C38H34NO2P/c1-25-23-31-19-11-13-21-33(31)35-36-34-22-14-12-20-32(34)24-26(2)38(36)41-42(40-37(25)35)39(27(3)29-15-7-5-8-16-29)28(4)30-17-9-6-10-18-30/h5-24,27-28H,1-4H3/t27-,28-/m1/s1
InChIKey
OMAJFQDTQQIPJW-VSGBNLITSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
35
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
178.74
TPSA
29.52

LogP / Solubility

WLOGP
11.67
MLOGP
10.32
XLogP3
10.6
Consensus LogP
10.86
Log S (ESOL)
-11
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.64
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.11

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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