KST-1B0978
TL;DR: KST-1B0978 (CAS 1736-96-5) is a chemical compound with molecular formula C38H42N4O8 and molecular weight 682.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[[(2S,3S,4R,5S)-5-[[2-(ethoxycarbonylamino)benzoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]carbamoyl]phenyl]carbamate
Also Known As: KST-1B0978, 1,2,5,6-tetradeoxy-2,5-bis({2-[(ethoxycarbonyl)amino]benzoyl}amino)-1,6-diphenyl-l-altritol, L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis((2-((ethoxycarbonyl)amino)benzoyl)amino)-1,6-diphenyl-, ethyl N-[2-[[(1S,2S,3R,4S)-1-benzyl-4-[[2-(ethoxycarbonylamino)benzoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]phenyl]carbamate, ethyl N-[2-[[(2S,3S,4R,5S)-5-[[2-(ethoxycarbonylamino)benzoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]carbamoyl]phenyl]carbamate
| Molecular Formula | C38H42N4O8 |
|---|---|
| Molecular Weight | 682.30 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 682.3003 |
| Heavy Atoms | 50 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 1736-96-5 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)[C@H]([C@H]([C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4NC(=O)OCC)O)O |
| InChIKey | QMXLEDQLAJUMEH-GZXHTMMISA-N |
Product Overview
KST-1B0978 (CAS 1736-96-5), with molecular formula C38H42N4O8 and molecular weight 682.30 g/mol. IUPAC: ethyl N-[2-[[(2S,3S,4R,5S)-5-[[2-(ethoxycarbonylamino)benzoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]carbamoyl]phenyl]carbamate.
Chemical Property Profile of KST-1B0978
Property Insights of KST-1B0978
The XLogP value of 6.0 indicates that KST-1B0978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting KST-1B0978 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0978 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B0978?
The CAS number of KST-1B0978 is 1736-96-5.
What is the molecular formula of KST-1B0978?
The molecular formula of KST-1B0978 is C38H42N4O8.
What is the molecular weight of KST-1B0978?
The molecular weight of KST-1B0978 is 682.30 g/mol.
Where can I buy KST-1B0978?
You can request a quote for KST-1B0978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0978?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.