CAS RN: 37572-24-0
ETHYL 3-AMINO-5-(4-METHOXYPHENYL)THIOPHENE-2-CARBOXYLATE
- Product code: SSC-144984
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
37572-24-0 / ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
Basic Information
CAS
37572-24-0
Multi CAS
No
Molecular Formula
C14H15NO3S
Molecular Weight
277.340000
Exact Mass
277.077265
InChI
InChI=1S/C14H15NO3S/c1-3-18-14(16)13-11(15)8-12(19-13)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKey
ZEMJHAZGTAILJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.68
TPSA
61.55
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
3.7
Consensus LogP
3.23
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 37577-22-3
- Product Code: SSC-144985
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