AF-399/40851183
TL;DR: AF-399/40851183 (CAS 379236-89-2) is a chemical compound with molecular formula C25H30N2O6S2 and molecular weight 518.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3-oxopropanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AF-399/40851183, F1174-3062, methyl 2-[[3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3-oxopropanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, dimethyl 2,2'-(malonylbis(azanediyl))bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate), METHYL 2-(2-{[3-(METHOXYCARBONYL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL]CARBAMOYL}ACETAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C25H30N2O6S2 |
|---|---|
| Molecular Weight | 518.15 g/mol |
| LogP | 4.8879 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.15454 |
| Heavy Atoms | 35 |
| Complexity | 1061.2535 |
Chemical Identifiers
| CAS Number | 379236-89-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC |
Product Overview
AF-399/40851183 (CAS 379236-89-2), with molecular formula C25H30N2O6S2 and molecular weight 518.15 g/mol. IUPAC: methyl 2-[[3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3-oxopropanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40851183
Property Insights of AF-399/40851183
The XLogP value of 4.8879 indicates that AF-399/40851183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851183. Following Lipinski's Rule of Five, AF-399/40851183 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851183?
The CAS number of AF-399/40851183 is 379236-89-2.
What is the molecular formula of AF-399/40851183?
The molecular formula of AF-399/40851183 is C25H30N2O6S2.
What is the molecular weight of AF-399/40851183?
The molecular weight of AF-399/40851183 is 518.15 g/mol.
Where can I buy AF-399/40851183?
You can request a quote for AF-399/40851183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851183?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.