CAS RN: 201730-11-2
(S)-3,4-DCPG
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS201730-11-2
- Purity/Analytical Methods: >99.0%
201730-11-2 / 4-[(S)-amino(carboxy)methyl]phthalic acid
Basic Information
CAS
201730-11-2
Multi CAS
No
Molecular Formula
C10H9NO6
Molecular Weight
239.180000
Exact Mass
239.042987
SMILES
C1=CC(=C(C=C1[C@@H](C(=O)O)N)C(=O)O)C(=O)O
InChI
InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKey
IJVMOGKBEVRBPP-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
54.92
TPSA
137.92
LogP / Solubility
WLOGP
0.17
MLOGP
0.15
XLogP3
-2.7
Consensus LogP
-0.79
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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