BAS 00609035
TL;DR: BAS 00609035 (CAS 64792-55-8) is a chemical compound with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: BAS 00609035, ethyl 2-(2-chloroacetamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-[(2-chloroacetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-(2-chloroacetylamino)-5,5-dimethyl-4,5-dihydro-7H-thiopheno[2,3-c]pyra n-3-carboxylate, ethyl 2-[(chloroacetyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C14H18ClNO4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.9534 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0645 |
| Heavy Atoms | 21 |
| Complexity | 567.56537 |
Chemical Identifiers
| CAS Number | 64792-55-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCl |
Product Overview
BAS 00609035 (CAS 64792-55-8), with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of BAS 00609035
Property Insights of BAS 00609035
The XLogP value of 2.9534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00609035. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00609035. Following Lipinski's Rule of Five, BAS 00609035 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 00609035?
The CAS number of BAS 00609035 is 64792-55-8.
What is the molecular formula of BAS 00609035?
The molecular formula of BAS 00609035 is C14H18ClNO4S.
What is the molecular weight of BAS 00609035?
The molecular weight of BAS 00609035 is 331.06 g/mol.
Where can I buy BAS 00609035?
You can request a quote for BAS 00609035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609035?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.