ChemDiv3_003480
TL;DR: ChemDiv3_003480 (CAS 329721-75-7) is a chemical compound with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetate
Also Known As: ChemDiv3_003480, IDI1_021390, BAS 02287446, BRD-K48248702-001-01-3, (4-Oxo-5-phenyl-2,3,4,5-tetrahydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-6-ylsulfanyl)-acetic acid, methyl ester
| Molecular Formula | C18H16N2O3S2 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.06024 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 329721-75-7 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=CC=C4 |
| InChIKey | UKRMGLJFLFFZKE-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003480 (CAS 329721-75-7), with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol. IUPAC: methyl 2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetate.
Chemical Property Profile of ChemDiv3_003480
Property Insights of ChemDiv3_003480
The XLogP value of 4.0 indicates that ChemDiv3_003480 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003480. Following Lipinski's Rule of Five, ChemDiv3_003480 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_003480?
The CAS number of ChemDiv3_003480 is 329721-75-7.
What is the molecular formula of ChemDiv3_003480?
The molecular formula of ChemDiv3_003480 is C18H16N2O3S2.
What is the molecular weight of ChemDiv3_003480?
The molecular weight of ChemDiv3_003480 is 372.06 g/mol.
Where can I buy ChemDiv3_003480?
You can request a quote for ChemDiv3_003480 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003480?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003480 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.