BAS 00758635
TL;DR: BAS 00758635 (CAS 315245-06-8) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00758635, 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, AB00074070-01, 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitrile
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.51858 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 801.72705 |
Chemical Identifiers
| CAS Number | 315245-06-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2C(=C(OC3=C2C(=O)CCC3)N)C#N |
Product Overview
BAS 00758635 (CAS 315245-06-8), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00758635
Property Insights of BAS 00758635
The XLogP value of 2.51858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00758635. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758635. Following Lipinski's Rule of Five, BAS 00758635 has 1 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 00758635?
The CAS number of BAS 00758635 is 315245-06-8.
What is the molecular formula of BAS 00758635?
The molecular formula of BAS 00758635 is C18H18N2O4.
What is the molecular weight of BAS 00758635?
The molecular weight of BAS 00758635 is 326.13 g/mol.
Where can I buy BAS 00758635?
You can request a quote for BAS 00758635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758635?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.