![CAS 209482-27-9 (S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a’]dinaphthalen-4-yl)bis(1-phenylethyl)amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4995-jpgcontextbwfzdgvyfhjvb3r8ndc0nzd8aw1hz2uvanblz3xommevadfmlzg5mzazntiwmzc5mtgvrdq5otuuanbnfge4odi1ognhztm1ndc3ywe0ytk5m2zimjk2otnjyjc5zjnhmmi2nwm0mdblmgjlmta3zgqyyzc4zdrlmdk0mme.jpeg)
CAS RN: 209482-27-9
(S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a’]dinaphthalen-4-yl)bis(1-phenylethyl)amine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250508 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251018 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260627 | 10g | Out of stock | Inquiry | ||
| Batchno.20250529 | 1g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry | |
| Batchno.20260227 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250109 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-099246
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: 1g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
209482-27-9 / N,N-bis[(1S)-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
Basic Information
CAS
209482-27-9
Multi CAS
No
Molecular Formula
C36H30NO2P
Molecular Weight
539.600000
Exact Mass
539.201416
SMILES
C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
InChI
InChI=1S/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3/t25-,26-/m0/s1
InChIKey
LKZPDRCMCSBQFN-UIOOFZCWSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
35
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
169.26
TPSA
29.52
LogP / Solubility
WLOGP
11.06
MLOGP
9.77
XLogP3
9.9
Consensus LogP
10.24
Log S (ESOL)
-10.47
Class (ESOL)
Insoluble
Log S (Ali)
-11.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.94
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)
1.84
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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