![CAS 446022-33-9 N-((5-(2-((6S)-2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl)-4-methyl-2-thienyl)carbonyl)-L-glutamic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/446022-33-9.gif)
CAS RN: 446022-33-9
N-((5-(2-((6S)-2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl)-4-methyl-2-thienyl)carbonyl)-L-glutamic acid
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.20260612 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS446022-33-9
- Purity/Analytical Methods: >99.0%
446022-33-9 / (2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4-methylthiophene-2-carbonyl]amino]pentanedioic acid
Basic Information
CAS
446022-33-9
Multi CAS
Yes
Molecular Formula
C20H25N5O6S
Molecular Weight
463.500000
Exact Mass
463.152555
InChI
InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1
InChIKey
QXOPTIPQEVJERB-JQWIXIFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
6
Molar refractivity
118.09
TPSA
187.5
LogP / Solubility
WLOGP
0.99
MLOGP
0.9
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
DFH-4T
- CAS RN: 446043-85-2
- Product Code: starshine_CAS446043-85-2
- Purity/Analytical method: >99.0%
-
tert-Butyl [(R)-2-iodo-1-Methylethyl]carbaMate
- CAS RN: 446060-78-2
- Product Code: SSC-152651
-
penta-t-butyl ((S)-2-(4-aminobenzyl)-1,4,7,10-tetraazacyclododecane-N,N’,N”,N”’-tetraacetic acid)
- CAS RN: 446061-19-4
- Product Code: starshine_CAS446061-19-4
- Purity/Analytical method: >99.0%
-
-
-
6-amino-3-Pyridinepropanoic acid methyl ester
- CAS RN: 446263-95-2
- Product Code: starshine_CAS446263-95-2
- Purity/Analytical method: >99.0%
![CAS 446060-78-2 tert-Butyl [(R)-2-iodo-1-Methylethyl]carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/446060-78-2.gif)
