CAS RN: 478169-65-2
5-Benzothiazolecarboxylicacid,methylester(9CI)
- Product code: SSC-154765
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 |
478169-65-2 / methyl 1,3-benzothiazole-5-carboxylate
Basic Information
CAS
478169-65-2
Multi CAS
No
Molecular Formula
C9H7NO2S
Molecular Weight
193.220000
Exact Mass
193.019750
InChI
InChI=1S/C9H7NO2S/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3
InChIKey
UQGOTDUTYINDJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.96
TPSA
39.19
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
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
-
Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate
- CAS RN: 478169-68-5
- Product Code: starshine_CAS478169-68-5
- Purity/Analytical method: >99.0%
-
-
3-methylbenzo[d]isoxazole-5-carboxylic acid
- CAS RN: 478169-74-3
- Product Code: starshine_CAS478169-74-3
- Purity/Analytical method: >99.0%
-
4′-Azidocytidine
- CAS RN: 478182-28-4
- Product Code: starshine_CAS478182-28-4
- Purity/Analytical method: >99.0%
-
(R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-chloro-4-hydroxyphenyl)propanoic acid
- CAS RN: 478183-59-4
- Product Code: SSC-154769
-
(S)-2-(tert-butoxycarbonylamino)-3-cyclobutylpropanoic acid
- CAS RN: 478183-60-7
- Product Code: SSC-154770
![CAS 478169-74-3 3-methylbenzo[d]isoxazole-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478169-74-3.gif)
