BAS 03045870
TL;DR: BAS 03045870 (CAS 351336-46-4) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: BAS 03045870, BIM-0027527.P001, methyl (4Z)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate, (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 2.9691 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 839.7043 |
Chemical Identifiers
| CAS Number | 351336-46-4 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC(=C(C=C2)OCC=C)OC)/C(=O)N1CCCOC)C(=O)OC |
Product Overview
BAS 03045870 (CAS 351336-46-4), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: methyl (4Z)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BAS 03045870
Property Insights of BAS 03045870
The XLogP value of 2.9691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03045870. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03045870. Following Lipinski's Rule of Five, BAS 03045870 has 0 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 03045870?
The CAS number of BAS 03045870 is 351336-46-4.
What is the molecular formula of BAS 03045870?
The molecular formula of BAS 03045870 is C22H27NO6.
What is the molecular weight of BAS 03045870?
The molecular weight of BAS 03045870 is 401.18 g/mol.
Where can I buy BAS 03045870?
You can request a quote for BAS 03045870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03045870?
Yes, KEHONG BIO provides custom synthesis services for BAS 03045870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.