AB00668192-01
TL;DR: AB00668192-01 (CAS 524679-85-4) is a chemical compound with molecular formula C27H29N3O5S2 and molecular weight 539.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-benzyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: AB00668192-01, F0539-1200, methyl 6-benzyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 6-benzyl-2-[4-(pyrrolidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 6-benzyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C27H29N3O5S2 |
|---|---|
| Molecular Weight | 539.15 g/mol |
| LogP | 4.1298 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.15485 |
| Heavy Atoms | 37 |
| Complexity | 1395.7982 |
Chemical Identifiers
| CAS Number | 524679-85-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
AB00668192-01 (CAS 524679-85-4), with molecular formula C27H29N3O5S2 and molecular weight 539.15 g/mol. IUPAC: methyl 6-benzyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of AB00668192-01
Property Insights of AB00668192-01
The XLogP value of 4.1298 indicates that AB00668192-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668192-01. Following Lipinski's Rule of Five, AB00668192-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668192-01?
The CAS number of AB00668192-01 is 524679-85-4.
What is the molecular formula of AB00668192-01?
The molecular formula of AB00668192-01 is C27H29N3O5S2.
What is the molecular weight of AB00668192-01?
The molecular weight of AB00668192-01 is 539.15 g/mol.
Where can I buy AB00668192-01?
You can request a quote for AB00668192-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668192-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668192-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.