CAS RN: 43077-30-1
DPO-1
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS43077-30-1
- Purity/Analytical Methods: >99.0%
43077-30-1 / [(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphoryl]benzene
Basic Information
CAS
43077-30-1
Multi CAS
Yes
Molecular Formula
C22H29OP
Molecular Weight
340.400000
Exact Mass
340.195603
InChI
InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
InChIKey
BPCNGVCAHAIZEE-COPCDDAFSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
104.89
TPSA
17.07
LogP / Solubility
WLOGP
5.46
MLOGP
4.82
XLogP3
6
Consensus LogP
5.43
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
-
-
2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
- CAS RN: 43083-13-2
- Product Code: starshine_CAS43083-13-2
- Purity/Analytical method: >99.0%
-
-
AMMONIUM-15N SULFATE
- CAS RN: 43086-58-4
- Product Code: starshine_CAS43086-58-4
- Purity/Analytical method: >99.0%
-
AMMONIUM NITRATE-15N2
- CAS RN: 43086-60-8
- Product Code: starshine_CAS43086-60-8
- Purity/Analytical method: >99.0%
