VU0003224-1
TL;DR: VU0003224-1 (CAS 544451-81-2) is a chemical compound with molecular formula C23H19NO4S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(9H-xanthene-9-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: VU0003224-1, methyl 2-(9H-xanthene-9-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(xanthen-9-ylcarbonylamino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene- 3-carboxylate, methyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C23H19NO4S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 4.8997 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.1035 |
| Heavy Atoms | 29 |
| Complexity | 1088.1566 |
Chemical Identifiers
| CAS Number | 544451-81-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
VU0003224-1 (CAS 544451-81-2), with molecular formula C23H19NO4S and molecular weight 405.10 g/mol. IUPAC: methyl 2-(9H-xanthene-9-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of VU0003224-1
Property Insights of VU0003224-1
The XLogP value of 4.8997 indicates that VU0003224-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0003224-1. Following Lipinski's Rule of Five, VU0003224-1 has 1 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 VU0003224-1?
The CAS number of VU0003224-1 is 544451-81-2.
What is the molecular formula of VU0003224-1?
The molecular formula of VU0003224-1 is C23H19NO4S.
What is the molecular weight of VU0003224-1?
The molecular weight of VU0003224-1 is 405.10 g/mol.
Where can I buy VU0003224-1?
You can request a quote for VU0003224-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0003224-1?
Yes, KEHONG BIO provides custom synthesis services for VU0003224-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.