ChemDiv1_017005
TL;DR: ChemDiv1_017005 (CAS 434291-29-9) is a chemical compound with molecular formula C22H19N3O2S and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(furan-2-yl)-N-(3-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: ChemDiv1_017005, 3-amino-4-(2-furyl)-N-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-4-(furan-2-yl)-N-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-4-(furan-2-yl)-N-(m-tolyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid m-tolylamide
| Molecular Formula | C22H19N3O2S |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 5.18792 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.1198 |
| Heavy Atoms | 28 |
| Complexity | 1208.478 |
Chemical Identifiers
| CAS Number | 434291-29-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=CO5)N |
Product Overview
ChemDiv1_017005 (CAS 434291-29-9), with molecular formula C22H19N3O2S and molecular weight 389.12 g/mol. IUPAC: 6-amino-8-(furan-2-yl)-N-(3-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv1_017005
Property Insights of ChemDiv1_017005
The XLogP value of 5.18792 indicates that ChemDiv1_017005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017005. Following Lipinski's Rule of Five, ChemDiv1_017005 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017005?
The CAS number of ChemDiv1_017005 is 434291-29-9.
What is the molecular formula of ChemDiv1_017005?
The molecular formula of ChemDiv1_017005 is C22H19N3O2S.
What is the molecular weight of ChemDiv1_017005?
The molecular weight of ChemDiv1_017005 is 389.12 g/mol.
Where can I buy ChemDiv1_017005?
You can request a quote for ChemDiv1_017005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017005?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.