BAS 10420069
TL;DR: BAS 10420069 (CAS 799800-49-0) is a chemical compound with molecular formula C23H25N5O2S and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: BAS 10420069, 6-(((1H-Benzo[d]imidazol-2-yl)methyl)thio)-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 6-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C23H25N5O2S |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.17288 |
| Heavy Atoms | 31 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 799800-49-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=C2C#N)SCC3=NC4=CC=CC=C4N3)N5CCOCC5)C |
| InChIKey | IQFZBGZSJVSYIN-UHFFFAOYSA-N |
Product Overview
BAS 10420069 (CAS 799800-49-0), with molecular formula C23H25N5O2S and molecular weight 435.17 g/mol. IUPAC: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of BAS 10420069
Property Insights of BAS 10420069
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10420069. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10420069. Following Lipinski's Rule of Five, BAS 10420069 has 1 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 10420069?
The CAS number of BAS 10420069 is 799800-49-0.
What is the molecular formula of BAS 10420069?
The molecular formula of BAS 10420069 is C23H25N5O2S.
What is the molecular weight of BAS 10420069?
The molecular weight of BAS 10420069 is 435.17 g/mol.
Where can I buy BAS 10420069?
You can request a quote for BAS 10420069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10420069?
Yes, KEHONG BIO provides custom synthesis services for BAS 10420069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.