![N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide structure](/static/products/462/462622-49-7.png)
N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
TL;DR: N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide (CAS 462622-49-7) is a chemical compound with molecular formula C26H35BrN2O2S and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-(3-methylbutanoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
Also Known As: N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide, N-(4-bromophenyl)-2-(3-methylbutanoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide, N-(4-bromophenyl)-2-[(3-methylbutanoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
| Molecular Formula | C26H35BrN2O2S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 7.9669 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.1603 |
| Heavy Atoms | 32 |
| Complexity | 905.29584 |
Chemical Identifiers
| CAS Number | 462622-49-7 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=C(C2=C(S1)CCCCCCCCCC2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide (CAS 462622-49-7), with molecular formula C26H35BrN2O2S and molecular weight 518.16 g/mol. IUPAC: N-(4-bromophenyl)-2-(3-methylbutanoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide.
Chemical Property Profile of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
Property Insights of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
The XLogP value of 7.9669 indicates that N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
The CAS number of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide is 462622-49-7.
What is the molecular formula of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
The molecular formula of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide is C26H35BrN2O2S.
What is the molecular weight of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
The molecular weight of N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide is 518.16 g/mol.
Where can I buy N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
You can request a quote for N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2-(3-methylbutanamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.