![CAS 210706-03-9 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2310-jpgcontextbwfzdgvyfhjvb3r8ntaxmdf8aw1hz2uvanblz3xozgyvadaylzg5mjg4mtuwmjixmtavqjizmtauanbnfddiythjm2vlmtawmjm3owrlmtizyzgyzti5njaymda1ztvmmdcwymjinzy2zjbmowmwztniztiyzgqxmdfjmji.jpeg)
CAS RN: 210706-03-9
4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250415 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250330 | 1g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250218 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260517 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250212 | 5g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: ICTB2310
- Purity/Analytical Methods: >94.0%(HPLC)
210706-03-9 / ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
Basic Information
CAS
210706-03-9
Multi CAS
No
Molecular Formula
C56H72O12S4
Molecular Weight
1065.400000
Exact Mass
1064.390662
SMILES
CCOC(=O)COC1=C2C=C(C=C1SC3=CC(=CC(=C3OCC(=O)OCC)SC4=CC(=CC(=C4OCC(=O)OCC)SC5=C(C(=CC(=C5)C(C)(C)C)S2)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C56H72O12S4/c1-17-61-45(57)29-65-49-37-21-33(53(5,6)7)22-38(49)70-40-24-35(55(11,12)13)26-42(51(40)67-31-47(59)63-19-3)72-44-28-36(56(14,15)16)27-43(52(44)68-32-48(60)64-20-4)71-41-25-34(54(8,9)10)23-39(69-37)50(41)66-30-46(58)62-18-2/h21-28H,17-20,29-32H2,1-16H3
InChIKey
IGVIIKFHGZNQFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Aromatic heavy atom count
24
Fraction Csp3
0.5
Rotatable bonds
16
H-bond acceptors
16
Molar refractivity
285.57
TPSA
142.12
LogP / Solubility
WLOGP
13.56
MLOGP
12.04
XLogP3
16
Consensus LogP
13.87
Log S (ESOL)
-14.18
Class (ESOL)
Insoluble
Log S (Ali)
-18.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
![CAS 204190-49-8 4-tert-Butylsulfonylcalix[4]arene molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
-
4-PENTENAL
- CAS RN: 2100-17-6
- Product Code: starshine_CAS2100-17-6
- Purity/Analytical method: >99.0%
-
-
![CAS 204190-49-8 4-tert-Butylsulfonylcalix[4]arene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2312-jpgcontextbwfzdgvyfhjvb3r8ndgzntd8aw1hz2uvanblz3xoogqvadazlzg5mjg4mtuwodc2ndyvqjizmtiuanbnfdczmmjjn2m1mwqxmzqynjvjndnjymq5ntg5mgnlzmrkngq1njrhoti0mgi1zgzhytywnjzknja4nmfjmdvlowe.jpeg)
![CAS 211561-04-5 4-Sulfothiacalix[4]arene Sodium Salt molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s0477-jpgcontextbwfzdgvyfhjvb3r8ndi3ndd8aw1hz2uvanblz3xozjuvadq0lzg5mziyndy4odayodyvuza0nzcuanbnfdzlotuzzgy5mdu0zti1ndzlndq5zti4mwe2yjq0nwq1ngfinjdhmmy2mmu2ytcxzdhhnzmxymnlmthkmtmwzdk.jpeg)
![CAS 182496-55-5 4-tert-Butylthiacalix[4]arene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2296-jpgcontextbwfzdgvyfhjvb3r8ntexodz8aw1hz2uvanblz3xoztkvadvjlzg5mjg4mtqzmdeymtqvqjiyotyuanbnfduzmwe3nzjkm2i4yzvjzmu5yjnkyji5odu0oge3nza3mtkyntc2ogm0mjuzmzewmtfhyju1ytqxmjaxytc0njk.jpeg)
