Aza dipeptide deriv.
TL;DR: Aza dipeptide deriv. (CAS 157643-56-6) is a chemical compound with molecular formula C34H46N6O7S and molecular weight 682.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]-2-[[4-(1,3-thiazol-5-yl)phenyl]methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Aza dipeptide deriv., J1.006.715D, 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, {(S)-1-[N''-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarbonylamino-3-methyl-butyrylamino)-4-phenyl-butyl]-N''-(4-thiazol-5-yl-benzyl)-hydrazinocarbonyl]-2-methyl-propyl}-carbamic acid methyl ester, 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(5-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-
| Molecular Formula | C34H46N6O7S |
|---|---|
| Molecular Weight | 682.31 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 682.3149 |
| Heavy Atoms | 48 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 157643-56-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CN=CS3)NC(=O)[C@H](C(C)C)NC(=O)OC)O)NC(=O)OC |
| InChIKey | BCSCPTFLLCLSSZ-ZHTHUIBPSA-N |
Product Overview
Aza dipeptide deriv. (CAS 157643-56-6), with molecular formula C34H46N6O7S and molecular weight 682.31 g/mol. IUPAC: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]-2-[[4-(1,3-thiazol-5-yl)phenyl]methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Aza dipeptide deriv.
Property Insights of Aza dipeptide deriv.
The XLogP value of 4.9 indicates that Aza dipeptide deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Aza dipeptide deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aza dipeptide deriv. has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aza dipeptide deriv.?
The CAS number of Aza dipeptide deriv. is 157643-56-6.
What is the molecular formula of Aza dipeptide deriv.?
The molecular formula of Aza dipeptide deriv. is C34H46N6O7S.
What is the molecular weight of Aza dipeptide deriv.?
The molecular weight of Aza dipeptide deriv. is 682.31 g/mol.
Where can I buy Aza dipeptide deriv.?
You can request a quote for Aza dipeptide deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aza dipeptide deriv.?
Yes, KEHONG BIO provides custom synthesis services for Aza dipeptide deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.