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CAS 736158-72-8 (11bR)-N,N-Bis[(R)-(-)-1-(2-methoxyphenyl)ethyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine molecular structure lightbox
CAS RN: 736158-72-8

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250409 100mg Out of stock Inquiry
  • Product code: SSC-183040
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 736158-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞98% 0 Out of Stock Beijing Inquiry

736158-72-8 / N,N-bis[(1R)-1-(2-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: 736158-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
736158-72-8
Multi CAS
Yes
Molecular Formula
C38H34NO4P
Molecular Weight
599.700000
Exact Mass
599.222546
InChI
InChI=1S/C38H34NO4P/c1-25(29-15-9-11-19-33(29)40-3)39(26(2)30-16-10-12-20-34(30)41-4)44-42-35-23-21-27-13-5-7-17-31(27)37(35)38-32-18-8-6-14-28(32)22-24-36(38)43-44/h5-26H,1-4H3/t25-,26-/m1/s1
InChIKey
SCPIPBUVJMWXLH-CLJLJLNGSA-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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