98-202
TL;DR: 98-202 (CAS 32651-70-0) is a chemical compound with molecular formula C22H26N4O6S and molecular weight 474.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide;bis(2-hydroxypropanoic acid)
Also Known As: 2-Phenylthionaphthene diamidine, 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide, 2-hydroxypropanoic acid- 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide(2:1), 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide; 2-hydroxypropanoic acid, 2-Hydroxypropanoic acid--2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide (2/1)
| Molecular Formula | C22H26N4O6S |
|---|---|
| Molecular Weight | 474.16 g/mol |
| LogP | 2.04004 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.15732 |
| Heavy Atoms | 33 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 32651-70-0 |
|---|---|
| SMILES | CC(C(=O)O)O.CC(C(=O)O)O.C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)C(=N)N)C(=N)N |
| InChIKey | FOBROUGZPKFBBU-UHFFFAOYSA-N |
Product Overview
98-202 (CAS 32651-70-0), with molecular formula C22H26N4O6S and molecular weight 474.16 g/mol. IUPAC: 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide;bis(2-hydroxypropanoic acid).
Chemical Property Profile of 98-202
Property Insights of 98-202
The XLogP value of 2.04004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 98-202. The TPSA of 243.0 Ų indicates high polarity, suggesting 98-202 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 98-202 has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 98-202?
The CAS number of 98-202 is 32651-70-0.
What is the molecular formula of 98-202?
The molecular formula of 98-202 is C22H26N4O6S.
What is the molecular weight of 98-202?
The molecular weight of 98-202 is 474.16 g/mol.
Where can I buy 98-202?
You can request a quote for 98-202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 98-202?
Yes, KEHONG BIO provides custom synthesis services for 98-202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.