C28H37N3O3S2
TL;DR: C28H37N3O3S2 (CAS 1082718-94-2) is a chemical compound with molecular formula C28H37N3O3S2 and molecular weight 527.22766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: methyl 2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbothioamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, METHYL 2-({[(1S,9R)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIEN-11-YL]CARBOTHIOYL}AMINO)-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIOPHENE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C28H37N3O3S2 |
| Molecular Weight | 527.22766 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 527.22766 Da |
| Heavy Atoms | 36 |
| Complexity | 906.0 |
| SMILES | COC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=S)N3C[C@@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 |
| InChIKey | DRUGVBYYQNRBFG-PMACEKPBSA-N |
Chemical Property Profile of C28H37N3O3S2
Property Insights of C28H37N3O3S2
The XLogP value of 7.0 indicates that C28H37N3O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H37N3O3S2. Following Lipinski's Rule of Five, C28H37N3O3S2 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H37N3O3S2?
The CAS number of C28H37N3O3S2 is 1082718-94-2.
What is the molecular formula of C28H37N3O3S2?
The molecular formula of C28H37N3O3S2 is C28H37N3O3S2.
What is the molecular weight of C28H37N3O3S2?
The molecular weight of C28H37N3O3S2 is 527.22766 g/mol.
Where can I buy C28H37N3O3S2?
You can request a quote for C28H37N3O3S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H37N3O3S2?
Yes, CoreyChem provides custom synthesis services for C28H37N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.