CAS RN: 9014-74-8
Enterokinase
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 0.1KU / 0.5KU | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE6369
9014-74-8 / bis(5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid);5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;bis(5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid);bis(5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid)
Basic Information
CAS
9014-74-8
Multi CAS
No
Molecular Formula
C148F2H230O26S8
Molecular Weight
2719.900000
Exact Mass
2718.444268
InChI
InChI=1S/C21H34O3S.2C19H30O4S.2C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;2*1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);2*7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)
InChIKey
VRASXGTWKFQRNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
184
Aromatic heavy atom count
48
Fraction Csp3
0.57
Rotatable bonds
66
H-bond acceptors
18
H-bond donors
8
Molar refractivity
763.44
TPSA
453.42
LogP / Solubility
WLOGP
37.48
MLOGP
33.28
XLogP3
37.48
Consensus LogP
36.08
Log S (ESOL)
-36.15
Class (ESOL)
Insoluble
Log S (Ali)
-48.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-56.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
7.3
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
