A4088/0174278
TL;DR: A4088/0174278 (CAS 1089314-53-3) is a chemical compound with molecular formula C25H31N3O5S2 and molecular weight 517.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 3-methyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-2,4-dicarboxylate
Also Known As: A4088/0174278, diisopropyl 3-methyl-5-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbothioamido)thiophene-2,4-dicarboxylate, DIISOPROPYL 3-METHYL-5-{[(6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIEN-11-YL)CARBOTHIOYL]AMINO}-2,4-THIOPHENEDICARBOXYLATE, dipropan-2-yl 3-methyl-5-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate
| Molecular Formula | C25H31N3O5S2 |
|---|---|
| Molecular Weight | 517.17 g/mol |
| LogP | 4.16472 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.17053 |
| Heavy Atoms | 35 |
| Complexity | 1216.1699 |
Chemical Identifiers
| CAS Number | 1089314-53-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=S)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C(=O)OC(C)C |
Product Overview
A4088/0174278 (CAS 1089314-53-3), with molecular formula C25H31N3O5S2 and molecular weight 517.17 g/mol. IUPAC: dipropan-2-yl 3-methyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of A4088/0174278
Property Insights of A4088/0174278
The XLogP value of 4.16472 indicates that A4088/0174278 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for A4088/0174278. Following Lipinski's Rule of Five, A4088/0174278 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 A4088/0174278?
The CAS number of A4088/0174278 is 1089314-53-3.
What is the molecular formula of A4088/0174278?
The molecular formula of A4088/0174278 is C25H31N3O5S2.
What is the molecular weight of A4088/0174278?
The molecular weight of A4088/0174278 is 517.17 g/mol.
Where can I buy A4088/0174278?
You can request a quote for A4088/0174278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4088/0174278?
Yes, KEHONG BIO provides custom synthesis services for A4088/0174278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.