[email protected]
CAS 102271-49-8 2(3H)-Furanone, 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]dihydro-, (E)- molecular structure lightbox
CAS RN: 102271-49-8

2(3H)-Furanone, 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]dihydro-, (E)-

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250204 5mg / 10mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250516 100mg In stock Shanghai Inquiry
Batchno.20250219 10mg In stock Shanghai Inquiry
Batchno.20260407 1g Out of stock Inquiry
Batchno.20250125 1mg In stock Shanghai Inquiry
Batchno.20250310 250mg In stock Shanghai Inquiry
Batchno.20260614 25mg In stock Shanghai Inquiry
Batchno.20250507 50mg In stock Shanghai Inquiry
Batchno.20260511 5mg In stock Shanghai Inquiry
  • Product code: SSC-003545
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: 0.25g
  • Available purity: ≥95%
  • 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 102271-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

102271-49-8 / (3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]oxolan-2-one

RefChem:915461 | alpha-(3,5-di-tert-Butyl-4-hydroxybenzylidene)gamma-butyrolactone | SCHEMBL1164736

Standard CAS: 102271-49-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102271-49-8
Multi CAS
Yes
Molecular Formula
C19H26O3
Molecular Weight
302.400000
Exact Mass
302.188195
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCOC2=O
InChI
InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3/b13-9+
InChIKey
DFPYHQJPGCODSB-UKTHLTGXSA-N
Synonyms
RefChem:915461 alpha-(3,5-di-tert-Butyl-4-hydroxybenzylidene)gamma-butyrolactone SCHEMBL1164736 KME-4;alpha-(3,5-Di-tert-Butyl-4-hydroxybenzylidene)gamma-butyrolactone DFPYHQJPGCODSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.06
TPSA
46.53

LogP / Solubility

WLOGP
4.32
MLOGP
3.81
XLogP3
5.2
Consensus LogP
4.44
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us