![CAS 43170-88-3 diethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/43170-88-3.gif)
CAS RN: 43170-88-3
diethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate
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.20251206 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS43170-88-3
- Purity/Analytical Methods: >99.0%
43170-88-3 / diethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Basic Information
CAS
43170-88-3
Multi CAS
Yes
Molecular Formula
C24H30N8O5
Molecular Weight
510.500000
Exact Mass
510.233916
InChI
InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1
InChIKey
MZRRIAJJDAPQRO-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
12
H-bond donors
3
Molar refractivity
136.26
TPSA
188.54
LogP / Solubility
WLOGP
1.23
MLOGP
1.12
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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