[email protected]
CAS 2021202-03-7 (S)-3-(tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure lightbox
CAS RN: 2021202-03-7

(S)-3-(tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250409 100mg In stock Inquiry
Batchno.20250801 25mg In stock Inquiry
Batchno.20260328 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260509 250mg Out of stock Inquiry
Batchno.20250811 50mg In stock Shanghai Inquiry
  • Product code: SSC-095234
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2021202-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry

2021202-03-7 / (3S)-3-tert-butyl-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2H-1,3-benzoxaphosphole

Standard CAS: 2021202-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2021202-03-7
Multi CAS
No
Molecular Formula
C21H27O3P
Molecular Weight
358.400000
Exact Mass
358.169782
SMILES
CC1=CC(=C(C(=C1OC)C2=C3C(=CC=C2)OC[P@]3C(C)(C)C)OC)C
InChI
InChI=1S/C21H27O3P/c1-13-11-14(2)19(23-7)17(18(13)22-6)15-9-8-10-16-20(15)25(12-24-16)21(3,4)5/h8-11H,12H2,1-7H3/t25-/m1/s1
InChIKey
HEETVIXTAXQITH-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
106.26
TPSA
27.69

LogP / Solubility

WLOGP
5.24
MLOGP
4.63
XLogP3
4.6
Consensus LogP
4.82
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us