A3256/0138371
TL;DR: A3256/0138371 (CAS 634175-56-7) is a chemical compound with molecular formula C29H27N3O3S2 and molecular weight 529.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: A3256/0138371, methyl 2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(3-(2-phenylquinoline-4-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, METHYL 2-[({[(2-PHENYL-4-QUINOLYL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C29H27N3O3S2 |
|---|---|
| Molecular Weight | 529.15 g/mol |
| LogP | 6.5357 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1494 |
| Heavy Atoms | 37 |
| Complexity | 1480.7909 |
Chemical Identifiers
| CAS Number | 634175-56-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
A3256/0138371 (CAS 634175-56-7), with molecular formula C29H27N3O3S2 and molecular weight 529.15 g/mol. IUPAC: methyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of A3256/0138371
Property Insights of A3256/0138371
The XLogP value of 6.5357 indicates that A3256/0138371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for A3256/0138371. Following Lipinski's Rule of Five, A3256/0138371 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3256/0138371?
The CAS number of A3256/0138371 is 634175-56-7.
What is the molecular formula of A3256/0138371?
The molecular formula of A3256/0138371 is C29H27N3O3S2.
What is the molecular weight of A3256/0138371?
The molecular weight of A3256/0138371 is 529.15 g/mol.
Where can I buy A3256/0138371?
You can request a quote for A3256/0138371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3256/0138371?
Yes, KEHONG BIO provides custom synthesis services for A3256/0138371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.