[email protected]
CAS 5581-32-8 Bisphenol A Bis(2,3-dihydroxypropyl) Ether molecular structure lightbox
CAS RN: 5581-32-8

Bisphenol A Bis(2,3-dihydroxypropyl) Ether

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250210 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260630 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260626 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS5581-32-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5581-32-8 / 3-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol

Standard CAS: 5581-32-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5581-32-8
Multi CAS
Yes
Molecular Formula
C21H28O6
Molecular Weight
376.400000
Exact Mass
376.188589
InChI
InChI=1S/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3
InChIKey
NISVZEWKUNUGQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
102.19
TPSA
99.38

LogP / Solubility

WLOGP
1.48
MLOGP
1.32
XLogP3
2.1
Consensus LogP
1.63
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us