CAS RN: 344595-77-3
Benzoic acid, 2,3-diamino-4,6-dimethyl-, methyl ester (9CI)
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.20250218 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS344595-77-3
- Purity/Analytical Methods: >99.0%
344595-77-3 / methyl 2,3-diamino-4,6-dimethylbenzoate
Basic Information
CAS
344595-77-3
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
InChI
InChI=1S/C10H14N2O2/c1-5-4-6(2)8(11)9(12)7(5)10(13)14-3/h4H,11-12H2,1-3H3
InChIKey
MXEVXNHGOSYLAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.08
TPSA
78.34
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.7
Consensus LogP
1.35
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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