BAS 03021661
TL;DR: BAS 03021661 (CAS 328069-28-9) is a chemical compound with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methoxyphenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: BAS 03021661, AE-848/11104088, 6-((4-methoxybenzyl)thio)-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-(4-Methoxy-benzylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-[(4-methoxybenzyl)sulfanyl]-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C23H27N3O3S |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.1773 |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 328069-28-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=C2C#N)SCC3=CC=C(C=C3)OC)N4CCOCC4)C |
| InChIKey | KLEPRYRYQKKFSR-UHFFFAOYSA-N |
Product Overview
BAS 03021661 (CAS 328069-28-9), with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol. IUPAC: 6-[(4-methoxyphenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of BAS 03021661
Property Insights of BAS 03021661
The XLogP value of 3.3 indicates that BAS 03021661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03021661. Following Lipinski's Rule of Five, BAS 03021661 has 0 hydrogen bond donor(s) and 7 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 03021661?
The CAS number of BAS 03021661 is 328069-28-9.
What is the molecular formula of BAS 03021661?
The molecular formula of BAS 03021661 is C23H27N3O3S.
What is the molecular weight of BAS 03021661?
The molecular weight of BAS 03021661 is 425.18 g/mol.
Where can I buy BAS 03021661?
You can request a quote for BAS 03021661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03021661?
Yes, KEHONG BIO provides custom synthesis services for BAS 03021661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.