AB00637246-02
TL;DR: AB00637246-02 (CAS 887900-44-9) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzothiazole-2-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: AB00637246-02, F1299-0132, methyl 2-(1,3-benzothiazole-2-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate, methyl 2-(benzo[d]thiazole-2-carboxamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, 2-(1,3-benzothiazole-2-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.5561 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1094.5966 |
Chemical Identifiers
| CAS Number | 887900-44-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
AB00637246-02 (CAS 887900-44-9), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: methyl 2-(1,3-benzothiazole-2-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of AB00637246-02
Property Insights of AB00637246-02
The XLogP value of 4.5561 indicates that AB00637246-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00637246-02. Following Lipinski's Rule of Five, AB00637246-02 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00637246-02?
The CAS number of AB00637246-02 is 887900-44-9.
What is the molecular formula of AB00637246-02?
The molecular formula of AB00637246-02 is C21H23N3O3S2.
What is the molecular weight of AB00637246-02?
The molecular weight of AB00637246-02 is 429.12 g/mol.
Where can I buy AB00637246-02?
You can request a quote for AB00637246-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00637246-02?
Yes, KEHONG BIO provides custom synthesis services for AB00637246-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.