C29H35N3O6S
TL;DR: C29H35N3O6S (CAS 1026779-70-3) is a chemical compound with molecular formula C29H35N3O6S and molecular weight 553.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-N-(4-methylphenyl)-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
Also Known As: N-(2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl)-3,3-dimethyl-7-oxo-N-(p-tolyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide 4,4-dioxide, N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-N-(4-methylphenyl)-4,4,7-trioxo-4, N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-N-(4-methylphenyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide 4,4-dioxide, C29H35N3O6S
| Molecular Formula | C29H35N3O6S |
|---|---|
| Molecular Weight | 553.22 g/mol |
| LogP | 3.35782 |
| Topological Polar Surface Area | 124.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.2247 |
| Heavy Atoms | 39 |
| Complexity | 1381.1062 |
Chemical Identifiers
| CAS Number | 1026779-70-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCCC3)C(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C |
Product Overview
C29H35N3O6S (CAS 1026779-70-3), with molecular formula C29H35N3O6S and molecular weight 553.22 g/mol. IUPAC: N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-N-(4-methylphenyl)-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide.
Chemical Property Profile of C29H35N3O6S
Property Insights of C29H35N3O6S
The XLogP value of 3.35782 indicates that C29H35N3O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.09 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H35N3O6S. Following Lipinski's Rule of Five, C29H35N3O6S 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 C29H35N3O6S?
The CAS number of C29H35N3O6S is 1026779-70-3.
What is the molecular formula of C29H35N3O6S?
The molecular formula of C29H35N3O6S is C29H35N3O6S.
What is the molecular weight of C29H35N3O6S?
The molecular weight of C29H35N3O6S is 553.22 g/mol.
Where can I buy C29H35N3O6S?
You can request a quote for C29H35N3O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H35N3O6S?
Yes, KEHONG BIO provides custom synthesis services for C29H35N3O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.