CAS RN: 30965-26-5
POLY(1,4-BUTYLENE TEREPHTHALATE)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS30965-26-5
- Purity/Analytical Methods: >99.0%
30965-26-5 / butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate
Basic Information
CAS
30965-26-5
Multi CAS
Yes
Molecular Formula
C14H20O6
Molecular Weight
284.300000
Exact Mass
284.125988
InChI
InChI=1S/C10H10O4.C4H10O2/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;5-3-1-2-4-6/h3-6H,1-2H3;5-6H,1-4H2
InChIKey
DHQLHXKTPYFDCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
72.53
TPSA
93.06
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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