CAS RN: 1613023-40-7
ethyl 6-chloroquinazoline-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1613023-40-7
- Purity/Analytical Methods: >99.0%
1613023-40-7 / ethyl 6-chloroquinazoline-2-carboxylate
Basic Information
CAS
1613023-40-7
Multi CAS
No
Molecular Formula
C11H9ClN2O2
Molecular Weight
236.650000
Exact Mass
236.035255
SMILES
CCOC(=O)C1=NC=C2C=C(C=CC2=N1)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-13-6-7-5-8(12)3-4-9(7)14-10/h3-6H,2H2,1H3
InChIKey
PEBCCDOVTTYEEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.5
TPSA
52.08
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.7
Consensus LogP
2.44
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(3R,4S)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
- CAS RN: 1613023-55-4
- Product Code: SSC-068958
-
Ethyl 3-(Boc-amino)pyrrolidine-3-carboxylate
- CAS RN: 1613023-56-5
- Product Code: SSC-068959
-
-
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yll)phenyl]-N3,N3,N3,N3-tetraphenyl-9H-carbazole-3,6-diamine
- CAS RN: 1613074-59-1
- Product Code: starshine_CAS1613074-59-1
- Purity/Analytical method: >99.0%
-
Ortataxel
- CAS RN: 1613081-64-3
- Product Code: starshine_CAS1613081-64-3
- Purity/Analytical method: >99.0%
-
methyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-1H-1,2,3-triazole-4-carboxylate
- CAS RN: 1613134-38-5
- Product Code: SSC-068965
![CAS 1613074-59-1 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yll)phenyl]-N3,N3,N3,N3-tetraphenyl-9H-carbazole-3,6-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613074-59-1.gif)
