BRD-A87292333-001-01-2
TL;DR: BRD-A87292333-001-01-2 (CAS 442552-84-3) is a chemical compound with molecular formula C22H29NO6S and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-[(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: BRD-A87292333-001-01-2, A2805/0118618, ethyl 5,5-dimethyl-2-{2-oxo-1-oxaspiro[4.5]decane-4-amido}-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-(2-oxo-1-oxaspiro[4.5]decane-4-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-(2-oxo-1-oxa-4-spiro[4.5]decylcarbonylamino)-6-oxa-1-thia-4,7-dihydro-5H-indene-3-carboxylate
| Molecular Formula | C22H29NO6S |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 3.9806 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.17157 |
| Heavy Atoms | 30 |
| Complexity | 867.22394 |
Chemical Identifiers
| CAS Number | 442552-84-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3CC(=O)OC34CCCCC4 |
Product Overview
BRD-A87292333-001-01-2 (CAS 442552-84-3), with molecular formula C22H29NO6S and molecular weight 435.17 g/mol. IUPAC: ethyl 5,5-dimethyl-2-[(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of BRD-A87292333-001-01-2
Property Insights of BRD-A87292333-001-01-2
The XLogP value of 3.9806 indicates that BRD-A87292333-001-01-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A87292333-001-01-2. Following Lipinski's Rule of Five, BRD-A87292333-001-01-2 has 1 hydrogen bond donor(s) and 7 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 BRD-A87292333-001-01-2?
The CAS number of BRD-A87292333-001-01-2 is 442552-84-3.
What is the molecular formula of BRD-A87292333-001-01-2?
The molecular formula of BRD-A87292333-001-01-2 is C22H29NO6S.
What is the molecular weight of BRD-A87292333-001-01-2?
The molecular weight of BRD-A87292333-001-01-2 is 435.17 g/mol.
Where can I buy BRD-A87292333-001-01-2?
You can request a quote for BRD-A87292333-001-01-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A87292333-001-01-2?
Yes, KEHONG BIO provides custom synthesis services for BRD-A87292333-001-01-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.