BAS 06900082
TL;DR: BAS 06900082 (CAS 445385-25-1) is a chemical compound with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
Also Known As: BAS 06900082, AM-807/14960035, methyl 6-amino-5-cyano-2-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate, methyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate, Methyl 6-amino-5-cyano-2-(((3-cyano-6-methylpyridin-2-yl)thio)methyl)-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C24H22N4O3S |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 3.85118 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.14127 |
| Heavy Atoms | 32 |
| Complexity | 1187.2056 |
Chemical Identifiers
| CAS Number | 445385-25-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C=CC(=N3)C)C#N)N)C#N |
Product Overview
BAS 06900082 (CAS 445385-25-1), with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol. IUPAC: methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 06900082
Property Insights of BAS 06900082
The XLogP value of 3.85118 indicates that BAS 06900082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900082. Following Lipinski's Rule of Five, BAS 06900082 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 BAS 06900082?
The CAS number of BAS 06900082 is 445385-25-1.
What is the molecular formula of BAS 06900082?
The molecular formula of BAS 06900082 is C24H22N4O3S.
What is the molecular weight of BAS 06900082?
The molecular weight of BAS 06900082 is 446.14 g/mol.
Where can I buy BAS 06900082?
You can request a quote for BAS 06900082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900082?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.