SES1_001000
TL;DR: SES1_001000 (CAS 6112-52-3) is a chemical compound with molecular formula C36H45NO5S2 and molecular weight 635.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(17-benzoyl-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl)methyl]-N-propylthiophene-2-sulfonamide
Also Known As: SES1_001000, N-[(4-Benzoyl-1,7-dihydroxy-9a,11a-dimethyl-2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-3b,5a-ethenocyclopenta[a]phenanthren-1-yl)methyl]-N-propylthiophene-2-sulfonamide
| Molecular Formula | C36H45NO5S2 |
|---|---|
| Molecular Weight | 635.27 g/mol |
| LogP | 6.6228 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 635.2739 |
| Heavy Atoms | 44 |
| Complexity | 1618.3844 |
Chemical Identifiers
| CAS Number | 6112-52-3 |
|---|---|
| SMILES | CCCN(CC1(CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)C=C4C(=O)C6=CC=CC=C6)C)O)S(=O)(=O)C7=CC=CS7 |
Product Overview
SES1_001000 (CAS 6112-52-3), with molecular formula C36H45NO5S2 and molecular weight 635.27 g/mol. IUPAC: N-[(17-benzoyl-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl)methyl]-N-propylthiophene-2-sulfonamide.
Chemical Property Profile of SES1_001000
Property Insights of SES1_001000
The XLogP value of 6.6228 indicates that SES1_001000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for SES1_001000. Following Lipinski's Rule of Five, SES1_001000 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 SES1_001000?
The CAS number of SES1_001000 is 6112-52-3.
What is the molecular formula of SES1_001000?
The molecular formula of SES1_001000 is C36H45NO5S2.
What is the molecular weight of SES1_001000?
The molecular weight of SES1_001000 is 635.27 g/mol.
Where can I buy SES1_001000?
You can request a quote for SES1_001000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SES1_001000?
Yes, KEHONG BIO provides custom synthesis services for SES1_001000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.