ChemDiv1_023100
TL;DR: ChemDiv1_023100 (CAS 351005-46-4) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid
Also Known As: ChemDiv1_023100, BAS 02287715, BIM-0015965.P001, 2-[(ANILINOCARBOTHIOYL)AMINO]-7,7-DIMETHYL-7,8-DIHYDRO-5H-PYRANO[4,3-B]PYRIDINE-3-CARBOXYLIC ACID, 7,7-dimethyl-2-(3-phenylthioureido)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.44 |
| Topological Polar Surface Area | 83.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 821.81604 |
Chemical Identifiers
| CAS Number | 351005-46-4 |
|---|---|
| SMILES | CC1(CC2=NC(=C(C=C2CO1)C(=O)O)NC(=S)NC3=CC=CC=C3)C |
Product Overview
ChemDiv1_023100 (CAS 351005-46-4), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_023100
Property Insights of ChemDiv1_023100
The XLogP value of 3.44 indicates that ChemDiv1_023100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023100. Following Lipinski's Rule of Five, ChemDiv1_023100 has 3 hydrogen bond donor(s) and 4 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 ChemDiv1_023100?
The CAS number of ChemDiv1_023100 is 351005-46-4.
What is the molecular formula of ChemDiv1_023100?
The molecular formula of ChemDiv1_023100 is C18H19N3O3S.
What is the molecular weight of ChemDiv1_023100?
The molecular weight of ChemDiv1_023100 is 357.11 g/mol.
Where can I buy ChemDiv1_023100?
You can request a quote for ChemDiv1_023100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023100?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.