CAS RN: 147857-42-9
(H-HOCYS-OME)2 2HCL
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.20251103 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-058355
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 | Shanghai | Inquiry |
147857-42-9 / methyl (2S)-2-amino-4-[[(3S)-3-amino-4-methoxy-4-oxobutyl]disulfanyl]butanoate;dihydrochloride
Basic Information
CAS
147857-42-9
Multi CAS
No
Molecular Formula
C10H22Cl2N2O4S2
Molecular Weight
369.300000
Exact Mass
368.039805
SMILES
COC(=O)[C@H](CCSSCC[C@@H](C(=O)OC)N)N.Cl.Cl
InChI
InChI=1S/C10H20N2O4S2.2ClH/c1-15-9(13)7(11)3-5-17-18-6-4-8(12)10(14)16-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H/t7-,8-;;/m0../s1
InChIKey
MONLWIYLANNRGT-FOMWZSOGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.8
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
88.63
TPSA
104.64
LogP / Solubility
WLOGP
0.99
MLOGP
0.89
XLogP3
0.99
Consensus LogP
0.96
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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