BAS 00386652
TL;DR: BAS 00386652 (CAS 329924-70-1) is a chemical compound with molecular formula C22H22ClNO3S2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00386652, propyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propyl 2-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetra hydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H22ClNO3S2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 6.5601 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.07297 |
| Heavy Atoms | 29 |
| Complexity | 1085.3524 |
Chemical Identifiers
| CAS Number | 329924-70-1 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 00386652 (CAS 329924-70-1), with molecular formula C22H22ClNO3S2 and molecular weight 447.07 g/mol. IUPAC: propyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00386652
Property Insights of BAS 00386652
The XLogP value of 6.5601 indicates that BAS 00386652 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 00386652 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00386652 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 00386652?
The CAS number of BAS 00386652 is 329924-70-1.
What is the molecular formula of BAS 00386652?
The molecular formula of BAS 00386652 is C22H22ClNO3S2.
What is the molecular weight of BAS 00386652?
The molecular weight of BAS 00386652 is 447.07 g/mol.
Where can I buy BAS 00386652?
You can request a quote for BAS 00386652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386652?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.