CAS RN: 1810074-86-2
(S)-Methyl 2-amino-3-(5-chloropyridin-2-yl)propanoate hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251027 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1810074-86-2
- Purity/Analytical Methods: >99.0%
1810074-86-2 / methyl (2S)-2-amino-3-(5-chloro-2-pyridinyl)propanoate;hydrochloride
Basic Information
CAS
1810074-86-2
Multi CAS
No
Molecular Formula
C9H12Cl2N2O2
Molecular Weight
251.110000
Exact Mass
250.027583
SMILES
COC(=O)[C@H](CC1=NC=C(C=C1)Cl)N.Cl
InChI
InChI=1S/C9H11ClN2O2.ClH/c1-14-9(13)8(11)4-7-3-2-6(10)5-12-7;/h2-3,5,8H,4,11H2,1H3;1H/t8-;/m0./s1
InChIKey
QPKJLMVYNDVQNM-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.19
TPSA
65.21
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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