AB00739030-01
TL;DR: AB00739030-01 (CAS 691396-53-9) is a chemical compound with molecular formula C22H16N6O3S and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-(benzenesulfonyl)-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: AB00739030-01, 6-amino-5-(4-methoxybenzyl)-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C22H16N6O3S |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 2.64656 |
| Topological Polar Surface Area | 147.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.10046 |
| Heavy Atoms | 32 |
| Complexity | 1512.9165 |
Chemical Identifiers
| CAS Number | 691396-53-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=CC=C4)N |
Product Overview
AB00739030-01 (CAS 691396-53-9), with molecular formula C22H16N6O3S and molecular weight 444.10 g/mol. IUPAC: 6-amino-7-(benzenesulfonyl)-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of AB00739030-01
Property Insights of AB00739030-01
The XLogP value of 2.64656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00739030-01. The TPSA of 147.68 Ų indicates high polarity, suggesting AB00739030-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00739030-01 has 1 hydrogen bond donor(s) and 8 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 AB00739030-01?
The CAS number of AB00739030-01 is 691396-53-9.
What is the molecular formula of AB00739030-01?
The molecular formula of AB00739030-01 is C22H16N6O3S.
What is the molecular weight of AB00739030-01?
The molecular weight of AB00739030-01 is 444.10 g/mol.
Where can I buy AB00739030-01?
You can request a quote for AB00739030-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00739030-01?
Yes, KEHONG BIO provides custom synthesis services for AB00739030-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.