BAS 00609029
TL;DR: BAS 00609029 (CAS 118005-52-0) is a chemical compound with molecular formula C15H20ClNO4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloropropanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: BAS 00609029, ethyl 2-(3-chloropropanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3-chloropropanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3-chloropropanoylamino)-5,5-dimethyl-4,5-dihydro-7H-thiopheno[2,3-c]p yran-3-carboxylate, ethyl 2-[(3-chloropropanoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C15H20ClNO4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 3.3435 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.08017 |
| Heavy Atoms | 22 |
| Complexity | 582.3427 |
Chemical Identifiers
| CAS Number | 118005-52-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCCl |
Product Overview
BAS 00609029 (CAS 118005-52-0), with molecular formula C15H20ClNO4S and molecular weight 345.08 g/mol. IUPAC: ethyl 2-(3-chloropropanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of BAS 00609029
Property Insights of BAS 00609029
The XLogP value of 3.3435 indicates that BAS 00609029 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 BAS 00609029. Following Lipinski's Rule of Five, BAS 00609029 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 BAS 00609029?
The CAS number of BAS 00609029 is 118005-52-0.
What is the molecular formula of BAS 00609029?
The molecular formula of BAS 00609029 is C15H20ClNO4S.
What is the molecular weight of BAS 00609029?
The molecular weight of BAS 00609029 is 345.08 g/mol.
Where can I buy BAS 00609029?
You can request a quote for BAS 00609029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609029?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.