CAS RN: 88678-67-5
Pyributicarb
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS88678-67-5
- Purity/Analytical Methods: >99.0%
88678-67-5 / O-(3-tert-butylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate
Basic Information
CAS
88678-67-5
Multi CAS
Yes
Molecular Formula
C18H22N2O2S
Molecular Weight
330.400000
Exact Mass
330.140199
InChI
InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
InChIKey
VTRWMTJQBQJKQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
97.56
TPSA
34.59
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
5.2
Consensus LogP
4.36
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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
-
2-METHOXY-5-METHYLPHENYLTHIOUREA
- CAS RN: 88686-29-7
- Product Code: starshine_CAS88686-29-7
- Purity/Analytical method: >99.0%
-
-
1-borneol-beta-apisyl-beta-glucopyranoside
- CAS RN: 88700-35-0
- Product Code: starshine_CAS88700-35-0
- Purity/Analytical method: >99.0%
-
-
-
Benzoic acid, 2-ethoxy-4-methyl-
- CAS RN: 88709-18-6
- Product Code: starshine_CAS88709-18-6
- Purity/Analytical method: >99.0%
