CAS RN: 226879-69-2
Carbamic acid, N-(5-bromo-2-thiazolyl)-, phenyl ester
- Product code: SSC-110675
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 |
226879-69-2 / phenyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
Basic Information
CAS
226879-69-2
Multi CAS
No
Molecular Formula
C10H7BrN2O2S
Molecular Weight
299.150000
Exact Mass
297.941160
SMILES
C1=CC=C(C=C1)OC(=O)NC2=NC=C(S2)Br
InChI
InChI=1S/C10H7BrN2O2S/c11-8-6-12-9(16-8)13-10(14)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKey
GQPXBRZSGPZEAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.9
TPSA
51.22
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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QUERCETIN-3-O-GLUCURONIDE
- CAS RN: 22688-79-5
- Product Code: starshine_CAS22688-79-5
- Purity/Analytical method: >99.0%
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