BAS 00391443
TL;DR: BAS 00391443 (CAS 330179-13-0) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
Also Known As: BAS 00391443, BIM-0029450.P001, ethyl 7,7-dimethyl-2-(3-phenylthioureido)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate, 7,7-Dimethyl-2-(3-phenyl-thioureido)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester, ethyl 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.9185 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 853.0505 |
Chemical Identifiers
| CAS Number | 330179-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2CC(OCC2=C1)(C)C)NC(=S)NC3=CC=CC=C3 |
Product Overview
BAS 00391443 (CAS 330179-13-0), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: ethyl 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate.
Chemical Property Profile of BAS 00391443
Property Insights of BAS 00391443
The XLogP value of 3.9185 indicates that BAS 00391443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00391443. Following Lipinski's Rule of Five, BAS 00391443 has 2 hydrogen bond donor(s) and 5 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 00391443?
The CAS number of BAS 00391443 is 330179-13-0.
What is the molecular formula of BAS 00391443?
The molecular formula of BAS 00391443 is C20H23N3O3S.
What is the molecular weight of BAS 00391443?
The molecular weight of BAS 00391443 is 385.15 g/mol.
Where can I buy BAS 00391443?
You can request a quote for BAS 00391443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00391443?
Yes, KEHONG BIO provides custom synthesis services for BAS 00391443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.