AB00685123-01
TL;DR: AB00685123-01 (CAS 307512-82-9) is a chemical compound with molecular formula C23H23N3O4S2 and molecular weight 469.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00685123-01, ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, F0745-0607, ethyl 2-(2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C23H23N3O4S2 |
|---|---|
| Molecular Weight | 469.11 g/mol |
| LogP | 4.0402 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.113 |
| Heavy Atoms | 32 |
| Complexity | 1262.0953 |
Chemical Identifiers
| CAS Number | 307512-82-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C |
Product Overview
AB00685123-01 (CAS 307512-82-9), with molecular formula C23H23N3O4S2 and molecular weight 469.11 g/mol. IUPAC: ethyl 2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00685123-01
Property Insights of AB00685123-01
The XLogP value of 4.0402 indicates that AB00685123-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685123-01. Following Lipinski's Rule of Five, AB00685123-01 has 1 hydrogen bond donor(s) and 7 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 AB00685123-01?
The CAS number of AB00685123-01 is 307512-82-9.
What is the molecular formula of AB00685123-01?
The molecular formula of AB00685123-01 is C23H23N3O4S2.
What is the molecular weight of AB00685123-01?
The molecular weight of AB00685123-01 is 469.11 g/mol.
Where can I buy AB00685123-01?
You can request a quote for AB00685123-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685123-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685123-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.