CAS RN: 40484-36-4
6-(CHLOROMETHYL)PHENANTHRIDINE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS40484-36-4
- Purity/Analytical Methods: >99.0%
40484-36-4 / 6-(chloromethyl)phenanthridine
Basic Information
CAS
40484-36-4
Multi CAS
Yes
Molecular Formula
C14H10CLN
Molecular Weight
227.690000
Exact Mass
227.050177
InChI
InChI=1S/C14H10ClN/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8H,9H2
InChIKey
LIFHMKCDDVTICL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
68.81
TPSA
12.89
LogP / Solubility
WLOGP
4.13
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.89
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
H-LYS-PNA 2HBR
- CAS RN: 40492-96-4
- Product Code: starshine_CAS40492-96-4
- Purity/Analytical method: >99.0%
-
4-CHLORO-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE
- CAS RN: 40493-18-3
- Product Code: SSC-148681
-
Furazan, di-p-anisoyl-,2-oxide
- CAS RN: 40499-78-3
- Product Code: starshine_CAS40499-78-3
- Purity/Analytical method: >99.0%
![CAS 40493-18-3 4-CHLORO-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40493-18-3.gif)
