Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
152612-26-5 / (2R)-2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride
Basic Information
CAS
152612-26-5
Multi CAS
No
Molecular Formula
C7H10ClNO2S
Molecular Weight
207.680000
Exact Mass
207.012077
SMILES
C1=CSC=C1C[C@H](C(=O)O)N.Cl
InChI
InChI=1S/C7H9NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h1-2,4,6H,3,8H2,(H,9,10);1H/t6-;/m1./s1
InChIKey
VWVKLOOCZNQENR-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.88
TPSA
63.32
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 152612-69-6
- Product Code: starshine_CAS152612-69-6
- Purity/Analytical method: >99.0%
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