BAS 01267301
TL;DR: BAS 01267301 (CAS 5836-48-6) is a chemical compound with molecular formula C18H20N4O5S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine
Also Known As: BAS 01267301, BIM-0000379.P001, 2-[4-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine, N-[amino(imino)methyl]-4-{[3-(3,4-dimethoxyphenyl)-3-oxo-1-propen-1-yl]amino}benzenesulfonamide, N-carbamimidoyl-4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
| Molecular Formula | C18H20N4O5S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 1.4744 |
| Topological Polar Surface Area | 146.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.11545 |
| Heavy Atoms | 28 |
| Complexity | 1010.77155 |
Chemical Identifiers
| CAS Number | 5836-48-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)OC |
Product Overview
BAS 01267301 (CAS 5836-48-6), with molecular formula C18H20N4O5S and molecular weight 404.12 g/mol. IUPAC: 2-[4-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine.
Chemical Property Profile of BAS 01267301
Property Insights of BAS 01267301
The XLogP value of 1.4744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01267301. The TPSA of 146.1 Ų indicates high polarity, suggesting BAS 01267301 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01267301 has 3 hydrogen bond donor(s) and 6 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 BAS 01267301?
The CAS number of BAS 01267301 is 5836-48-6.
What is the molecular formula of BAS 01267301?
The molecular formula of BAS 01267301 is C18H20N4O5S.
What is the molecular weight of BAS 01267301?
The molecular weight of BAS 01267301 is 404.12 g/mol.
Where can I buy BAS 01267301?
You can request a quote for BAS 01267301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01267301?
Yes, KEHONG BIO provides custom synthesis services for BAS 01267301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.