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 | Shenzhen | Inquiry |
207226-24-2 / 1,3-diaminopropan-2-one;hydrate;dihydrochloride
Basic Information
CAS
207226-24-2
Multi CAS
No
Molecular Formula
C3H12Cl2N2O2
Molecular Weight
179.040000
Exact Mass
178.027583
SMILES
C(C(=O)CN)N.O.Cl.Cl
InChI
InChI=1S/C3H8N2O.2ClH.H2O/c4-1-3(6)2-5;;;/h1-2,4-5H2;2*1H;1H2
InChIKey
NWGWIZCBVTVWAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.23
TPSA
100.61
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.33
XLogP3
-1.51
Consensus LogP
-1.45
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly 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)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-CHLORO-6,7,8-TRIFLUOROQUINOLINE-3-CARBOXYLIC ACID
- CAS RN: 207231-25-2
- Product Code: SSC-097583
-
H-ALA-ALA-BETA-NA TFA
- CAS RN: 20724-07-6
- Product Code: starshine_CAS20724-07-6
- Purity/Analytical method: >99.0%
-
3-chloro-5-isoxazolecarboxylic acid(SALTDATA: FREE)
- CAS RN: 20724-56-5
- Product Code: SSC-097584
-
2′-C-Methylcytidine
- CAS RN: 20724-73-6
- Product Code: starshine_CAS20724-73-6
- Purity/Analytical method: >99.0%
-
DIHYDROFISETIN
- CAS RN: 20725-03-5
- Product Code: starshine_CAS20725-03-5
- Purity/Analytical method: >99.0%
-
1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
- CAS RN: 20725-33-1
- Product Code: SSC-097585
