[email protected]
CAS 149-29-1 PATULIN molecular structure lightbox
CAS RN: 149-29-1

PATULIN

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250517 1mg In stock Inquiry
Batchno.20251031 25mg In stock Inquiry
Batchno.20250314 5mg In stock Inquiry
  • Product code: starshine_CAS149-29-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

149-29-1 / 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

Standard CAS: 149-29-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
149-29-1
Multi CAS
No
Molecular Formula
C7H6O4
Molecular Weight
154.120000
Exact Mass
154.026609
SMILES
C1C=C2C(=CC(=O)O2)C(O1)O
InChI
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
InChIKey
ZRWPUFFVAOMMNM-UHFFFAOYSA-N

Physical Properties

Melting Point
111.0 °C 111 °C
Physical Description
Solid; [Merck Index] Colorless or white odorless solid; [HSDB] White crystalline solid; Solid
Appearance
Compact prisms or thick plates from ether or chloroform White...crystalline solid CRYSTALS FROM BENZENE Colorless crystals, prisms, or plates from Et2O or trichloromethane
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.22
TPSA
55.76

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-1
Consensus LogP
-0.52
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H300 (93.3%): Fatal if swallowed [Danger Acute toxicity, oral] H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us