![CAS 1265892-01-0 3-[3-[2-(2-Tetrahydropyranyloxy)ethyl]ureido]thiophene-2-carboxy molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1265892-01-0.gif)
CAS RN: 1265892-01-0
3-[3-[2-(2-Tetrahydropyranyloxy)ethyl]ureido]thiophene-2-carboxy
- Product code: SSC-033633
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1265892-01-0 / 3-[2-(oxan-2-yloxy)ethylcarbamoylamino]thiophene-2-carboxylic acid
Basic Information
CAS
1265892-01-0
Multi CAS
No
Molecular Formula
C13H18N2O5S
Molecular Weight
314.360000
Exact Mass
314.093643
SMILES
C1CCOC(C1)OCCNC(=O)NC2=C(SC=C2)C(=O)O
InChI
InChI=1S/C13H18N2O5S/c16-12(17)11-9(4-8-21-11)15-13(18)14-5-7-20-10-3-1-2-6-19-10/h4,8,10H,1-3,5-7H2,(H,16,17)(H2,14,15,18)
InChIKey
WFEBOBZHCYLTEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
77.84
TPSA
96.89
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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