BAS 00730229
TL;DR: BAS 00730229 (CAS 303135-75-3) is a chemical compound with molecular formula C28H31NO3S2 and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00730229, methyl 6-tert-butyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-(tert-butyl)-2-(2-phenyl-2-(phenylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 6-(TERT-BUTYL)-2-{[2-PHENYL-2-(PHENYLSULFANYL)ACETYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C28H31NO3S2 |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 7.1578 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.17453 |
| Heavy Atoms | 34 |
| Complexity | 1149.6444 |
Chemical Identifiers
| CAS Number | 303135-75-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4 |
Product Overview
BAS 00730229 (CAS 303135-75-3), with molecular formula C28H31NO3S2 and molecular weight 493.17 g/mol. IUPAC: methyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00730229
Property Insights of BAS 00730229
The XLogP value of 7.1578 indicates that BAS 00730229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00730229 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00730229 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00730229?
The CAS number of BAS 00730229 is 303135-75-3.
What is the molecular formula of BAS 00730229?
The molecular formula of BAS 00730229 is C28H31NO3S2.
What is the molecular weight of BAS 00730229?
The molecular weight of BAS 00730229 is 493.17 g/mol.
Where can I buy BAS 00730229?
You can request a quote for BAS 00730229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00730229?
Yes, KEHONG BIO provides custom synthesis services for BAS 00730229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.