![CAS 2230044-57-0 2-(Diethylamino)-5-hydroxy-6-iodo-7-(1H-pyrrol-1-yl)benzo[d]thiazole-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/2230044-57-0.png)
CAS RN: 2230044-57-0
2-(Diethylamino)-5-hydroxy-6-iodo-7-(1H-pyrrol-1-yl)benzo[d]thiazole-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260129 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260302 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250701 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250108 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250921 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260307 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250420 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
2230044-57-0 / 2-(diethylamino)-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
MB710 | CHEMBL4162051 | 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
Basic Information
CAS
2230044-57-0
Multi CAS
No
Molecular Formula
C16H16In3O3S
Molecular Weight
457.300000
Exact Mass
456.995710
SMILES
CCN(CC)C1=NC2=C(C(=C(C(=C2S1)N3C=CC=C3)I)O)C(=O)O
InChI
InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)
InChIKey
SEBJATZOIHUGAU-UHFFFAOYSA-N
Synonyms
MB710
CHEMBL4162051
2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
2-(diethylamino)-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
orb1685250
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.85
TPSA
78.59
LogP / Solubility
WLOGP
3.94
MLOGP
3.5
XLogP3
4.3
Consensus LogP
3.91
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
4,5-Dibromo-2H-1,2,3-triazole
- CAS RN: 22300-52-3
- Product Code: starshine_CAS22300-52-3
- Purity/Analytical method: >99.0%
-
4-METHYL-2-PHENYL-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID
- CAS RN: 22300-56-7
- Product Code: SSC-108565
-
Naphthalene, 1-ethyl-3-methoxy-
- CAS RN: 2230044-64-9
- Product Code: starshine_CAS2230044-64-9
- Purity/Analytical method: >99.0%
-
-
L-Phenylalanine, 3,4-difluoro-, methyl ester, hydrochloride (1:1)
- CAS RN: 2230086-42-5
- Product Code: starshine_CAS2230086-42-5
- Purity/Analytical method: >99.0%
![5-Bromo-3-iodopyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/2230052-64-7.png)
