CAS RN: 329907-28-0
TTP 22
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-138791
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
329907-28-0 / 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
Basic Information
CAS
329907-28-0
Multi CAS
Yes
Molecular Formula
C16H14N2O2S2
Molecular Weight
330.400000
Exact Mass
330.049670
InChI
InChI=1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKey
RAOULLCLLOGTDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.56
TPSA
63.08
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
3.9
Consensus LogP
3.96
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-methyl-5-(1-piperidinylsulfonyl)benzoic acid
- CAS RN: 329908-47-6
- Product Code: SSC-138792
-
(1S,3S)-N-BOC-1-AMINOCYCLOPENTANE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 329910-39-6
- Product Code: SSC-138794
-
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
- CAS RN: 329921-20-2
- Product Code: SSC-138796
-
ETHYL 2-[(2,6-DICHLOROBENZOYL)AMINO]ACETATE
- CAS RN: 329931-03-5
- Product Code: starshine_CAS329931-03-5
- Purity/Analytical method: >99.0%
-
HIF-1alpha/2alpha Inhibitor
- CAS RN: 329932-55-0
- Product Code: starshine_CAS329932-55-0
- Purity/Analytical method: >99.0%
-
4-Bromo-N-(4-methoxybenzyl)benzenesulfonamide
- CAS RN: 329939-43-7
- Product Code: starshine_CAS329939-43-7
- Purity/Analytical method: >99.0%
![CAS 329921-20-2 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/329921-20-2.gif)
![CAS 329931-03-5 ETHYL 2-[(2,6-DICHLOROBENZOYL)AMINO]ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4229757(1).gif)
