![CAS 2003230-67-7 2-((2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)-6-methoxypyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2003230-67-7.png)
CAS RN: 2003230-67-7
2-((2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)-6-methoxypyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251025 | 100mg | Out of stock | Inquiry |
- Product code: SSC-094315
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2003230-67-7 / 2-[(2S,3S)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphol-2-yl]-6-methoxypyridine
Basic Information
CAS
2003230-67-7
Multi CAS
No
Molecular Formula
C25H28NO4P
Molecular Weight
437.500000
Exact Mass
437.175595
SMILES
CC(C)(C)[P@@]1[C@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)C4=NC(=CC=C4)OC
InChI
InChI=1S/C25H28NO4P/c1-25(2,3)31-23-16(22-18(27-4)12-9-13-19(22)28-5)10-7-14-20(23)30-24(31)17-11-8-15-21(26-17)29-6/h7-15,24H,1-6H3/t24-,31-/m0/s1
InChIKey
OMRMWFIEDFJLAJ-DLLPINGYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
125.45
TPSA
49.81
LogP / Solubility
WLOGP
5.77
MLOGP
5.11
XLogP3
4.7
Consensus LogP
5.19
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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