SC133
TL;DR: SC133 (CAS 188947-77-5) is a chemical compound with molecular formula C37H40N2O7 and molecular weight 624.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S,7R)-1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
Also Known As: SC133, SC 133, (4R,5S,6S,7R)-1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one, (4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-4,7-bis(1,4-benzodioxin-6-ylmethyl)-2H-1,3-diazepin-2-one, (4r,5s,6s,7r)-1-benzyl-3-(1-cyclohexa-1,5-dienylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-7-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
| Molecular Formula | C37H40N2O7 |
|---|---|
| Molecular Weight | 624.28 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 624.28357 |
| Heavy Atoms | 46 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 188947-77-5 |
|---|---|
| SMILES | C1CC=C(C=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCCO5)O)O)CC6=CC7=C(C=C6)OCCO7 |
| InChIKey | KDWJWCZJSCVSPR-PQFLWIRSSA-N |
Product Overview
SC133 (CAS 188947-77-5), with molecular formula C37H40N2O7 and molecular weight 624.28 g/mol. IUPAC: (4R,5S,6S,7R)-1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one.
Chemical Property Profile of SC133
Property Insights of SC133
The XLogP value of 4.5 indicates that SC133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SC133. Following Lipinski's Rule of Five, SC133 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SC133?
The CAS number of SC133 is 188947-77-5.
What is the molecular formula of SC133?
The molecular formula of SC133 is C37H40N2O7.
What is the molecular weight of SC133?
The molecular weight of SC133 is 624.28 g/mol.
Where can I buy SC133?
You can request a quote for SC133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SC133?
Yes, KEHONG BIO provides custom synthesis services for SC133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.